 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer08_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer08_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-35252.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     35261.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer08_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer08_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.250904000000     -0.690050000000      0.276818000000
  C                                                 0.189479000000      0.206848000000     -0.338320000000
  C                                                -1.218867000000     -0.343463000000     -0.063422000000
  O                                                -2.139786000000      0.610664000000      0.106878000000
  O                                                 2.516052000000     -0.170687000000     -0.121294000000
  N                                                 0.262737000000      1.614990000000      0.062074000000
  O                                                -1.475252000000     -1.516387000000     -0.031909000000
  H                                                 0.312462000000      0.172012000000     -1.425027000000
  H                                                 1.148785000000     -0.681214000000      1.370514000000
  H                                                 1.101193000000     -1.714061000000     -0.069890000000
  H                                                -1.645638000000      1.460867000000      0.062581000000
  H                                                 0.529234000000      1.694360000000      1.038405000000
  H                                                 0.970182000000      2.101499000000     -0.472846000000
  H                                                 3.207414000000     -0.767126000000      0.181892000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519685   0.000000
     3  C    2.517073   1.536831   0.000000
     4  O    3.635590   2.405565   1.336956   0.000000
     5  O    1.424370   2.366976   3.739361   4.726457   0.000000
     6  N    2.517101   1.465792   2.458951   2.604380   2.880919
     7  O    2.865322   2.415524   1.201032   2.232759   4.213004
     8  H    2.126053   1.094199   2.112972   2.924495   2.583209
     9  H    1.098489   2.151519   2.788552   3.752389   2.086995
    10  H    1.091429   2.143168   2.694672   3.992435   2.094391
    11  H    3.614180   2.258526   1.858391   0.984373   4.473862
    12  H    2.605040   2.055115   2.902172   3.027508   2.961545
    13  H    2.904057   2.053606   3.307174   3.497223   2.770583
    14  H    1.960327   3.213593   4.453272   5.522362   0.962103
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.582591   0.000000
     8  H    2.072710   2.826197   0.000000
     9  H    2.787409   3.090287   3.040145   0.000000
    10  H    3.435550   2.584296   2.452705   1.773077   0.000000
    11  H    1.914589   2.983622   2.776379   3.756062   4.200333
    12  H    1.015156   3.933501   2.903968   2.477396   3.629434
    13  H    1.011587   4.389040   2.249925   3.342659   3.839015
    14  H    3.789453   4.747048   3.441644   2.378688   2.322982
                   11         12         13         14
    11  H    0.000000
    12  H    2.395166   0.000000
    13  H    2.745834   1.626062   0.000000
    14  H    5.341376   3.737001   3.696336   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6422497           1.8564853           1.3850769
 Leave Link  202 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       322.5377908605 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0065776671 Hartrees.
 Nuclear repulsion after empirical dispersion term =      322.5312131934 Hartrees.
 Leave Link  301 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.16D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer08_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.901687467802    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.901687467802     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-03 BMatP= 6.39D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.421 Goal=   None    Shift=    0.000
 GapD=    0.421 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.16D-03 MaxDP=2.54D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.12D-03    CP:  9.72D-01
 E= -398.907274394865     Delta-E=       -0.005586927063 Rises=F Damp=F
 DIIS: error= 4.08D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.907274394865     IErMin= 2 ErrMin= 4.08D-04
 ErrMax= 4.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-04 BMatP= 6.39D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.08D-03
 Coeff-Com: -0.451D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.449D-01 0.104D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=3.83D-02 DE=-5.59D-03 OVMax= 5.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.58D-04    CP:  9.66D-01  1.15D+00
 E= -398.907435501952     Delta-E=       -0.000161107087 Rises=F Damp=F
 DIIS: error= 4.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.907435501952     IErMin= 2 ErrMin= 4.08D-04
 ErrMax= 4.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-04 BMatP= 1.56D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.29D-03
 Coeff-Com: -0.468D-01 0.526D+00 0.521D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.466D-01 0.523D+00 0.523D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.35D-04 MaxDP=4.65D-03 DE=-1.61D-04 OVMax= 1.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.49D-05    CP:  9.65D-01  1.16D+00  1.11D+00
 E= -398.907532031146     Delta-E=       -0.000096529194 Rises=F Damp=F
 DIIS: error= 5.92D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.907532031146     IErMin= 4 ErrMin= 5.92D-05
 ErrMax= 5.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-06 BMatP= 1.38D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-02-0.465D-01 0.756D-01 0.972D+00
 Coeff:     -0.118D-02-0.465D-01 0.756D-01 0.972D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=5.19D-03 DE=-9.65D-05 OVMax= 9.53D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.33D-05    CP:  9.64D-01  1.17D+00  1.26D+00  1.16D+00
 E= -398.907536947463     Delta-E=       -0.000004916318 Rises=F Damp=F
 DIIS: error= 3.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.907536947463     IErMin= 5 ErrMin= 3.19D-05
 ErrMax= 3.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.40D-07 BMatP= 3.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.368D-02-0.664D-01-0.138D-01 0.429D+00 0.647D+00
 Coeff:      0.368D-02-0.664D-01-0.138D-01 0.429D+00 0.647D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=2.09D-05 MaxDP=1.10D-03 DE=-4.92D-06 OVMax= 3.09D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.86D-06    CP:  9.64D-01  1.17D+00  1.28D+00  1.23D+00  1.07D+00
 E= -398.907537764538     Delta-E=       -0.000000817074 Rises=F Damp=F
 DIIS: error= 1.46D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.907537764538     IErMin= 6 ErrMin= 1.46D-05
 ErrMax= 1.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-07 BMatP= 8.40D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.261D-01-0.123D-01 0.105D+00 0.297D+00 0.635D+00
 Coeff:      0.182D-02-0.261D-01-0.123D-01 0.105D+00 0.297D+00 0.635D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=4.12D-06 MaxDP=2.16D-04 DE=-8.17D-07 OVMax= 1.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.46D-06    CP:  9.64D-01  1.17D+00  1.29D+00  1.24D+00  1.13D+00
                    CP:  1.11D+00
 E= -398.907537853499     Delta-E=       -0.000000088961 Rises=F Damp=F
 DIIS: error= 4.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.907537853499     IErMin= 7 ErrMin= 4.46D-06
 ErrMax= 4.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-08 BMatP= 1.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.682D-04 0.372D-02-0.926D-03-0.517D-01-0.214D-01 0.256D+00
 Coeff-Com:  0.814D+00
 Coeff:     -0.682D-04 0.372D-02-0.926D-03-0.517D-01-0.214D-01 0.256D+00
 Coeff:      0.814D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=2.05D-06 MaxDP=5.89D-05 DE=-8.90D-08 OVMax= 5.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.00D-06    CP:  9.64D-01  1.17D+00  1.29D+00  1.25D+00  1.17D+00
                    CP:  1.19D+00  1.02D+00
 E= -398.907537869287     Delta-E=       -0.000000015788 Rises=F Damp=F
 DIIS: error= 5.29D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.907537869287     IErMin= 8 ErrMin= 5.29D-07
 ErrMax= 5.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-10 BMatP= 1.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-03 0.221D-02 0.632D-03-0.165D-01-0.209D-01 0.825D-02
 Coeff-Com:  0.155D+00 0.871D+00
 Coeff:     -0.113D-03 0.221D-02 0.632D-03-0.165D-01-0.209D-01 0.825D-02
 Coeff:      0.155D+00 0.871D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=5.70D-07 MaxDP=2.28D-05 DE=-1.58D-08 OVMax= 1.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.70D-07    CP:  9.64D-01  1.17D+00  1.29D+00  1.25D+00  1.17D+00
                    CP:  1.20D+00  1.07D+00  1.17D+00
 E= -398.907537869873     Delta-E=       -0.000000000586 Rises=F Damp=F
 DIIS: error= 2.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.907537869873     IErMin= 9 ErrMin= 2.50D-07
 ErrMax= 2.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-11 BMatP= 3.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.302D-04 0.422D-03 0.273D-03-0.128D-02-0.475D-02-0.183D-01
 Coeff-Com: -0.829D-02 0.292D+00 0.740D+00
 Coeff:     -0.302D-04 0.422D-03 0.273D-03-0.128D-02-0.475D-02-0.183D-01
 Coeff:     -0.829D-02 0.292D+00 0.740D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.88D-07 MaxDP=1.07D-05 DE=-5.86D-10 OVMax= 3.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.28D-08    CP:  9.64D-01  1.17D+00  1.29D+00  1.25D+00  1.17D+00
                    CP:  1.20D+00  1.07D+00  1.23D+00  1.08D+00
 E= -398.907537869942     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.907537869942     IErMin=10 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-12 BMatP= 5.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-05-0.154D-03 0.180D-05 0.190D-02 0.118D-02-0.947D-02
 Coeff-Com: -0.257D-01-0.159D-01 0.272D+00 0.776D+00
 Coeff:      0.416D-05-0.154D-03 0.180D-05 0.190D-02 0.118D-02-0.947D-02
 Coeff:     -0.257D-01-0.159D-01 0.272D+00 0.776D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.97D-08 MaxDP=5.06D-06 DE=-6.92D-11 OVMax= 1.39D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.85D-08    CP:  9.64D-01  1.17D+00  1.29D+00  1.25D+00  1.17D+00
                    CP:  1.20D+00  1.07D+00  1.25D+00  1.18D+00  1.20D+00
 E= -398.907537869946     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 3.20D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.907537869946     IErMin=11 ErrMin= 3.20D-08
 ErrMax= 3.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-13 BMatP= 8.85D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.452D-05-0.993D-04-0.288D-04 0.864D-03 0.986D-03-0.175D-02
 Coeff-Com: -0.828D-02-0.344D-01 0.278D-01 0.281D+00 0.734D+00
 Coeff:      0.452D-05-0.993D-04-0.288D-04 0.864D-03 0.986D-03-0.175D-02
 Coeff:     -0.828D-02-0.344D-01 0.278D-01 0.281D+00 0.734D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=1.20D-06 DE=-4.32D-12 OVMax= 4.29D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.97D-09    CP:  9.64D-01  1.17D+00  1.29D+00  1.25D+00  1.17D+00
                    CP:  1.20D+00  1.07D+00  1.25D+00  1.22D+00  1.28D+00
                    CP:  1.16D+00
 E= -398.907537869942     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.01D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -398.907537869946     IErMin=12 ErrMin= 1.01D-08
 ErrMax= 1.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-14 BMatP= 8.51D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.397D-06-0.752D-06-0.824D-05-0.704D-04 0.559D-04 0.679D-03
 Coeff-Com:  0.146D-02-0.406D-02-0.263D-01-0.378D-01 0.139D+00 0.927D+00
 Coeff:      0.397D-06-0.752D-06-0.824D-05-0.704D-04 0.559D-04 0.679D-03
 Coeff:      0.146D-02-0.406D-02-0.263D-01-0.378D-01 0.139D+00 0.927D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=7.21D-09 MaxDP=4.07D-07 DE= 3.98D-12 OVMax= 2.31D-07

 SCF Done:  E(RwB97XD) =  -398.907537870     A.U. after   12 cycles
            NFock= 12  Conv=0.72D-08     -V/T= 2.0060
 KE= 3.965397652465D+02 PE=-1.580467668415D+03 EE= 4.624891521056D+02
 Leave Link  502 at Thu Aug 12 22:04:30 2021, MaxMem=  5368709120 cpu:             410.4 elap:              51.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47182606D+02

 Leave Link  801 at Thu Aug 12 22:04:30 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 3.14D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 2.22D-01 8.25D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 3.21D-02 3.92D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.17D-03 9.70D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.30D-04 2.39D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.55D-06 3.25D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.24D-07 4.18D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 2.94D-09 7.64D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 5.34D-11 8.88D-07.
      8 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 7.28D-13 1.35D-07.
      2 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.01D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.24D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.665495D+02
      2 -0.211410D+00  0.648799D+02
      3 -0.654174D+00 -0.260190D+00  0.480025D+02
 Isotropic polarizability for W=    0.088559       59.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.304566D+02 -0.452201D+01 -0.134077D+01
      2  -0.200973D+02  0.288276D+01 -0.217109D+01
      3  -0.103593D+02  0.163926D+01  0.351186D+01
      4   0.855773D+00 -0.851041D+01 -0.349276D+01
      5   0.336843D+01 -0.553337D+01  0.250910D+02
      6  -0.187874D+01  0.238148D+01  0.641474D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.692046D+00 -0.177595D+01 -0.148650D+01
      2   0.239643D+01 -0.919997D+00  0.111923D+02
      3   0.594947D+01  0.514610D+01  0.205569D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.204062D+01  0.455258D+01 -0.477548D+01
      2  -0.470919D+01 -0.161401D+01  0.354503D+02
      3   0.537779D+01 -0.115869D+02  0.365463D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.576920D-01 -0.174695D+00 -0.104045D+01
      2  -0.174695D+00  0.278318D+00 -0.110167D+01
      3  -0.104045D+01 -0.110167D+01  0.107636D+00
 OR G Eigenvalues:    -1.4667     0.3346     1.5757  Iso=    -0.1479
 Eigenvectors:
   (1)   0.528980   0.490273   0.692685
   (2)   0.732934  -0.675376  -0.081695
   (3)  -0.427770  -0.550908   0.716598
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1479 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -71.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.84D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.67D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.06D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 4.98D-02 5.17D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 7.04D-04 3.52D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.07D-05 4.13D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.12D-07 3.26D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 9.87D-10 3.93D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 6.07D-12 2.12D-07.
     29 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 3.20D-14 1.77D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   239 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.69D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.665495D+02 -0.211410D+00 -0.654174D+00
      2  -0.211410D+00  0.648799D+02 -0.260190D+00
      3  -0.654174D+00 -0.260190D+00  0.480025D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.692046D+00 -0.177595D+01 -0.148650D+01
      2   0.239643D+01 -0.919997D+00  0.111923D+02
      3   0.594947D+01  0.514610D+01  0.205569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.304566D+02 -0.452201D+01 -0.134077D+01
      2  -0.200973D+02  0.288276D+01 -0.217109D+01
      3  -0.103593D+02  0.163926D+01  0.351186D+01
      4   0.855773D+00 -0.851041D+01 -0.349276D+01
      5   0.336843D+01 -0.553337D+01  0.250910D+02
      6  -0.187874D+01  0.238148D+01  0.641474D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.973145D+00 -0.228988D+01  0.109697D+01 -0.305055D+01  0.127605D+01
      2  -0.228988D+01  0.252645D+01 -0.386037D+00  0.127605D+01  0.421621D+01
      3   0.109697D+01 -0.386037D+00  0.141440D+01 -0.311509D-01  0.173875D+01
                 6             7             8             9            10 
      1  -0.311509D-01  0.184615D+01 -0.318095D+00  0.124177D+01  0.118574D+01
      2   0.173875D+01 -0.318095D+00  0.213805D+01  0.852623D+00  0.309375D+01
      3   0.457696D+00  0.124177D+01  0.852623D+00 -0.787956D+01 -0.677104D+00
                11            12            13            14            15 
      1   0.309375D+01 -0.677104D+00  0.239485D+01 -0.310320D+00  0.303872D-01
      2  -0.231017D+01  0.596751D+00 -0.310320D+00 -0.361905D+01 -0.894812D+00
      3   0.596751D+00 -0.591103D+00  0.303872D-01 -0.894812D+00  0.413999D+00
                16            17            18            19            20 
      1  -0.521732D+00  0.110236D+01 -0.749997D+00 -0.220824D+01 -0.180124D+01
      2   0.110236D+01 -0.150543D+01 -0.101954D+00 -0.180124D+01  0.178593D+01
      3  -0.749997D+00 -0.101954D+00  0.702700D+01 -0.118727D+00  0.697788D-02
                21            22            23            24            25 
      1  -0.118727D+00 -0.356498D+00  0.255011D+01  0.117606D+00  0.369307D-01
      2   0.697788D-02  0.255011D+01  0.627087D+01 -0.596447D-01  0.171931D+00
      3  -0.395256D+00  0.117606D+00 -0.596447D-01  0.474817D+00 -0.191926D+00
                26            27            28            29            30 
      1   0.171931D+00 -0.191926D+00 -0.792449D+01  0.163701D+01  0.388423D+00
      2   0.401461D+00  0.360496D+00  0.163701D+01 -0.271266D+01 -0.198011D+00
      3   0.360496D+00 -0.460068D+00  0.388423D+00 -0.198011D+00 -0.987331D+00
                31            32            33            34            35 
      1  -0.175945D+01 -0.374951D+01 -0.815594D-01  0.949991D+00 -0.175875D+00
      2  -0.374951D+01 -0.748357D+00  0.184036D+00 -0.175875D+00  0.156749D+00
      3  -0.815594D-01  0.184036D+00  0.586020D+00 -0.172380D+01  0.118732D+01
                36            37            38            39            40 
      1  -0.172380D+01  0.154914D+01  0.288790D+01 -0.158547D+01  0.609918D+01
      2   0.118732D+01  0.288790D+01 -0.103829D+01  0.583253D+00 -0.707830D+00
      3   0.707005D+00 -0.158547D+01  0.583253D+00 -0.502317D+00  0.556374D+00
                41            42            43            44            45 
      1  -0.707830D+00  0.556374D+00 -0.366377D+01  0.724231D+00  0.776904D+00
      2   0.241564D+01 -0.101943D+01  0.724231D+00 -0.105054D+01  0.478325D+00
      3  -0.101943D+01  0.612649D+00  0.776904D+00  0.478325D+00 -0.735635D+00
                46            47            48            49            50 
      1  -0.230052D+01 -0.215129D+01  0.110346D+01 -0.119285D+01 -0.154706D+01
      2  -0.215129D+01 -0.116596D+01  0.111329D+00 -0.154706D+01  0.526373D+01
      3   0.110346D+01  0.111329D+00 -0.187315D+01  0.365401D+00  0.787213D+00
                51            52            53            54            55 
      1   0.365401D+00  0.134100D+01  0.354623D+00 -0.204638D+01 -0.206599D+01
      2   0.787213D+00  0.354623D+00  0.882816D+00 -0.703038D+00 -0.322954D+01
      3  -0.615673D+00 -0.204638D+01 -0.703038D+00 -0.433245D+01 -0.343900D-02
                56            57            58            59            60 
      1  -0.322954D+01 -0.343900D-02 -0.415975D+01 -0.276842D+01  0.121079D-02
      2  -0.281601D+01 -0.183230D+00 -0.276842D+01 -0.130745D+02  0.430710D-01
      3  -0.183230D+00 -0.303768D+00  0.121079D-02  0.430710D-01 -0.245008D+01
                61            62            63            64            65 
      1  -0.135644D+00  0.554858D-02 -0.104593D+01  0.472934D+00 -0.504975D+00
      2   0.554858D-02  0.179076D+00 -0.316095D+01 -0.504975D+00  0.504398D+00
      3  -0.104593D+01 -0.316095D+01  0.120764D+00 -0.101678D+01 -0.944808D-01
                66            67            68            69            70 
      1  -0.101678D+01 -0.816129D+00  0.367082D+00  0.681088D-01 -0.198906D+01
      2  -0.944808D-01  0.367082D+00  0.648726D+00 -0.101288D+01 -0.194258D+00
      3   0.100506D+01  0.681088D-01 -0.101288D+01 -0.273985D+00  0.711650D+00
                71            72            73            74            75 
      1  -0.194258D+00  0.711650D+00 -0.457758D+00  0.199508D+00  0.107999D+01
      2  -0.150746D+01  0.225130D+00  0.199508D+00 -0.300114D+00  0.129024D+00
      3   0.225130D+00 -0.844813D+01  0.107999D+01  0.129024D+00 -0.924410D+00
                76            77            78            79            80 
      1   0.607662D+00 -0.225521D+00  0.135973D-01  0.205176D+01 -0.218981D+00
      2  -0.225521D+00 -0.769090D+00  0.948376D+00 -0.218981D+00  0.130929D+01
      3   0.135973D-01  0.948376D+00  0.180854D+00 -0.327888D+00 -0.117438D+01
                81            82            83            84            85 
      1  -0.327888D+00 -0.879845D+00 -0.755651D+00 -0.552306D+00 -0.147449D+01
      2  -0.117438D+01 -0.755651D+00 -0.474812D+00  0.281314D-01 -0.359038D-01
      3   0.876905D+01 -0.552306D+00  0.281314D-01 -0.798658D-01 -0.563606D-01
                86            87            88            89            90 
      1  -0.359038D-01 -0.563606D-01 -0.115301D+01  0.111198D+00 -0.208953D+00
      2  -0.800275D+01 -0.115645D+01  0.111198D+00 -0.187583D+01 -0.135475D+01
      3  -0.115645D+01 -0.123521D+01 -0.208953D+00 -0.135475D+01 -0.686446D-01
                91            92            93            94            95 
      1   0.230279D+01  0.190086D+01 -0.217718D+00  0.459097D+01  0.172293D+00
      2   0.190086D+01  0.431545D+00  0.891251D-01  0.172293D+00  0.480542D+01
      3  -0.217718D+00  0.891251D-01 -0.390873D+00 -0.120067D+00  0.864877D-01
                96            97            98            99           100 
      1  -0.120067D+00 -0.377112D+00 -0.110494D+00 -0.571662D+00  0.222323D+00
      2   0.864877D-01 -0.110494D+00 -0.145989D+00  0.599014D+00  0.770834D+00
      3   0.859532D+00 -0.571662D+00  0.599014D+00  0.530837D-01  0.698365D+00
               101           102           103           104           105 
      1   0.770834D+00  0.698365D+00  0.599323D+00  0.283700D+00  0.426478D+00
      2   0.492508D+00  0.659811D+00  0.283700D+00  0.112174D+01  0.705564D+00
      3   0.659811D+00  0.106106D+01  0.426478D+00  0.705564D+00  0.715978D+00
               106           107           108           109           110 
      1   0.167270D+01  0.527309D+00  0.157317D+01  0.321872D+01  0.263259D+01
      2   0.527309D+00  0.236388D+01  0.193556D+01  0.263259D+01  0.317765D+01
      3   0.157317D+01  0.193556D+01  0.625493D+01 -0.111274D+01 -0.913728D+00
               111           112           113           114           115 
      1  -0.111274D+01  0.284779D+01  0.221686D+01 -0.776364D+00 -0.225267D+01
      2  -0.913728D+00  0.221686D+01  0.335582D+01 -0.878911D+00 -0.128760D+01
      3   0.137732D+01 -0.776364D+00 -0.878911D+00  0.104349D+01  0.129447D+01
               116           117           118           119           120 
      1  -0.128760D+01  0.129447D+01  0.785834D+01 -0.238989D+01  0.917079D+00
      2  -0.201225D+01  0.131548D+01 -0.238989D+01  0.189954D+01 -0.428915D+00
      3   0.131548D+01 -0.139564D+01  0.917079D+00 -0.428915D+00  0.119024D+01
               121           122           123           124           125 
      1  -0.433007D+01  0.247847D+01 -0.513662D+00  0.219447D+01 -0.691901D+00
      2   0.247847D+01 -0.188437D+01  0.528633D+00 -0.691901D+00  0.666172D+00
      3  -0.513662D+00  0.528633D+00 -0.770085D+00  0.126858D+01 -0.458871D+00
               126 
      1   0.126858D+01
      2  -0.458871D+00
      3   0.388300D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126543D+01  0.334636D+00  0.239250D+01 -0.843731D+00  0.711494D+01
      2   0.246349D+01 -0.119681D+01 -0.150305D-01 -0.814133D-01  0.721458D+00
      3   0.328894D+01  0.105946D+01  0.208367D+00  0.645108D+01 -0.652175D+01
                 6             7             8             9            10 
      1  -0.102261D+01  0.164597D+01  0.278245D+01 -0.682426D+01 -0.140880D+01
      2  -0.822878D+00 -0.157818D+01  0.102779D+01 -0.577236D+01  0.121941D+01
      3  -0.205896D+01 -0.233587D+01 -0.268101D+01 -0.246224D+01  0.600543D+00
                11            12            13            14            15 
      1   0.709418D+00 -0.555764D+00  0.901450D+00  0.456203D+00 -0.302349D+00
      2  -0.495583D+00  0.308746D+01  0.210961D+01 -0.194952D+01  0.106592D+01
      3  -0.502576D+01  0.540144D+00 -0.598563D+00  0.892179D+00  0.639575D+00
                16            17            18            19            20 
      1  -0.115395D+01  0.458547D+01  0.134458D+00  0.809528D+00  0.799375D+00
      2  -0.289837D+01  0.293469D+00  0.865048D+00 -0.449965D+01 -0.143119D+00
      3  -0.889786D+00  0.132425D+01  0.575034D+00 -0.592187D+01  0.370163D+00
                21            22            23            24            25 
      1   0.248365D+00  0.180918D+01  0.690830D-01  0.915043D+01 -0.288737D+00
      2  -0.572330D+01 -0.823304D+00  0.146775D+01 -0.194591D+01 -0.183370D+02
      3  -0.154755D+00  0.215517D+00  0.957393D+01 -0.165057D+01  0.213564D+01
                26            27            28            29            30 
      1   0.988474D+01  0.514969D-01 -0.853031D+00 -0.620584D+00  0.285667D+01
      2  -0.143488D+01  0.324118D+01  0.307152D+00  0.294269D+00  0.777554D+01
      3  -0.222240D+01  0.102743D+01 -0.565169D+01 -0.150388D+02  0.271301D-01
                31            32            33            34            35 
      1  -0.237128D+00 -0.559309D+00 -0.392483D+01  0.732064D+00  0.208964D+01
      2   0.909558D+00 -0.278642D+00 -0.100995D+01  0.516157D+01 -0.999547D+00
      3  -0.111603D+02 -0.877706D+01  0.203458D+00  0.153381D+00  0.186496D+01
                36            37            38            39            40 
      1  -0.524392D+00 -0.539297D+00 -0.602695D+00 -0.167997D+01  0.983361D+00
      2  -0.208572D+01 -0.646603D+01  0.180617D+01  0.453387D+01  0.215958D+01
      3   0.170190D+01 -0.128634D+02 -0.325295D+01 -0.935729D+00  0.453154D+01
                41            42            43            44            45 
      1  -0.671871D+00 -0.167274D+01  0.922572D-01  0.307331D+01 -0.184397D+00
      2  -0.226629D+01  0.406887D+01 -0.393758D+01  0.177332D+01 -0.379954D+01
      3  -0.946596D+01  0.196545D+01 -0.856279D+00  0.380882D+01 -0.192216D+01
                46            47            48            49            50 
      1  -0.265443D+01 -0.112876D+01  0.475982D+01 -0.217067D+01 -0.380374D+01
      2   0.140698D-01  0.161648D+01  0.362840D+01  0.541486D+00  0.668919D+00
      3  -0.511519D+01 -0.112738D+02  0.176515D+01  0.186595D+01 -0.194575D+01
                51            52            53            54            55 
      1  -0.308860D+01  0.552986D+01  0.652782D+01  0.816237D+01  0.225915D+00
      2  -0.752729D+00 -0.338834D+01 -0.708294D+00  0.278298D+00  0.260257D+00
      3   0.859612D+00  0.341453D+01  0.103960D+01 -0.469811D+01 -0.326770D-01
                56            57            58            59            60 
      1   0.720463D-01 -0.290787D+01 -0.105399D+00  0.916435D+00 -0.108650D+02
      2   0.153791D+00  0.492828D+01 -0.953624D+00 -0.751112D+00  0.463677D+01
      3  -0.530290D+01 -0.181291D+00  0.974482D+01 -0.181802D+02  0.537787D+00
                61            62            63            64            65 
      1  -0.370851D+00  0.869482D+00  0.417118D+00  0.302082D+00 -0.751616D+00
      2   0.262508D+01  0.437222D+01 -0.120693D+01  0.765918D+00 -0.183275D+00
      3  -0.132548D+01  0.632382D+00 -0.443144D+01  0.322614D+00 -0.685627D+00
                66            67            68            69            70 
      1   0.112379D+00 -0.599785D+00 -0.607939D+00 -0.395952D+00  0.239031D+00
      2   0.735366D+00 -0.298392D+00  0.438588D+00 -0.517325D+00 -0.260915D+01
      3  -0.211266D+00  0.124463D+01 -0.244268D+00  0.218300D+00 -0.684883D-01
                71            72            73            74            75 
      1   0.296936D+01  0.104315D+01  0.102418D+01 -0.533221D+00 -0.436142D+00
      2  -0.901879D-01 -0.174319D+01  0.193696D+01  0.309155D+00 -0.444864D+00
      3   0.322726D+00  0.234280D+00  0.491618D+00 -0.796322D+00 -0.107291D+01
                76            77            78            79            80 
      1  -0.397149D+00  0.424313D+00 -0.460753D+00 -0.714383D+00  0.287188D+01
      2  -0.182087D+00  0.139400D+01 -0.571334D-01 -0.501856D+01 -0.103695D+01
      3   0.484744D+00  0.851426D+00 -0.922276D+00 -0.163634D+01 -0.109845D+01
                81            82            83            84            85 
      1   0.805109D+01 -0.997493D+00 -0.269982D-01 -0.391581D+00 -0.293973D+00
      2   0.914011D+01 -0.528799D+00  0.282160D+00  0.676250D+00 -0.324603D+00
      3   0.184392D+01  0.313139D+01  0.128614D+01  0.625804D+00  0.540862D+01
                86            87            88            89            90 
      1  -0.408438D+01 -0.434940D+01 -0.364995D+00 -0.132953D+01 -0.904764D+00
      2  -0.569467D+00 -0.912091D+00 -0.124880D+01 -0.107204D+01 -0.225536D+00
      3   0.938842D+01  0.167544D+01  0.197426D+01  0.203986D+01  0.177038D+01
                91            92            93            94            95 
      1   0.821792D+00  0.428162D+00  0.963748D+00  0.360787D+00  0.787580D+00
      2  -0.340050D+00 -0.504036D+00 -0.140430D+01 -0.333724D+00 -0.565645D+00
      3   0.823636D+01  0.913648D+01 -0.216081D+00  0.122662D+02  0.157082D+02
                96            97            98            99           100 
      1  -0.116398D+01  0.861362D+00  0.101072D+01  0.243368D+00 -0.114050D+01
      2  -0.212591D+01 -0.201693D+01 -0.176856D+01  0.759908D-01 -0.486264D+00
      3   0.325427D+00 -0.643093D+00 -0.952125D+00  0.300848D-01  0.501194D+00
               101           102           103           104           105 
      1  -0.681644D+00 -0.265742D+01 -0.476578D+00 -0.164824D+01 -0.213896D+01
      2   0.105641D+00  0.420254D+00  0.900363D-01 -0.140415D+00  0.345640D+00
      3   0.793441D+00  0.828980D+00  0.180387D+01  0.415219D+00  0.663840D+00
               106           107           108           109           110 
      1  -0.402325D+01 -0.165371D+01 -0.127570D+02  0.247587D+01  0.200820D+01
      2  -0.224349D+01  0.591003D+00  0.784235D+00  0.661863D+00 -0.299841D+00
      3   0.336955D+01  0.230186D-01  0.317313D+01  0.728190D+01  0.314858D+01
               111           112           113           114           115 
      1  -0.373834D+01  0.180537D+01  0.168646D+01 -0.242303D+01 -0.280059D+01
      2   0.115463D+01 -0.111632D+00 -0.358689D-01  0.915531D+00 -0.677167D+00
      3  -0.226983D+01  0.642058D+01  0.278176D+01 -0.143567D+01 -0.526676D+01
               116           117           118           119           120 
      1  -0.155064D+01  0.256878D+01  0.668754D+00 -0.632415D-02  0.103360D+01
      2   0.398194D+00 -0.780743D+00  0.436494D+01 -0.187476D+01  0.464894D+01
      3  -0.167724D+01  0.227327D+01  0.583526D+01 -0.686029D+01  0.117555D+01
               121           122           123           124           125 
      1  -0.409004D+00  0.502111D-01 -0.134374D+01  0.511252D+00  0.311198D+00
      2  -0.270148D+01  0.186624D+01 -0.288880D+01  0.288986D+01 -0.123888D+01
      3  -0.540154D+01  0.541716D+01 -0.134827D+01  0.197474D+01 -0.242441D+01
               126 
      1   0.393706D+00
      2   0.155602D+01
      3   0.884503D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.179026D+02 -0.974437D+00 -0.140019D+01 -0.850237D+01  0.124385D+02
      2   0.991772D+01 -0.219005D+01 -0.462746D+01  0.400446D+01 -0.175677D+02
      3   0.798493D+01  0.316448D+01  0.602765D+01  0.449791D+01  0.512912D+01
      4  -0.450787D+01  0.949991D+00 -0.213983D+01  0.739984D+01  0.604960D+01
      5   0.461545D+01 -0.226325D+01 -0.368723D+01  0.817065D+00  0.378698D+01
      6  -0.420367D+01  0.244644D+01 -0.316166D+01  0.114541D+01 -0.654608D+01
                 6             7             8             9            10 
      1   0.254330D+01  0.639624D+01  0.197133D+01  0.175043D+02 -0.178934D+01
      2  -0.607150D+01 -0.523184D+01 -0.446708D+01  0.246618D+01  0.467126D+01
      3   0.352820D+01 -0.116440D+01  0.249574D+01 -0.199705D+02 -0.288191D+01
      4   0.319688D+01 -0.551187D-01  0.534309D+01  0.802379D+00  0.898419D+00
      5  -0.146097D+01  0.397113D+01  0.216457D+01 -0.144346D+02 -0.847659D+00
      6   0.119812D+01 -0.140095D+01 -0.840793D+00  0.832920D+01  0.163327D+01
                11            12            13            14            15 
      1   0.225800D+01 -0.101400D+01  0.168529D+01  0.531311D+01  0.831490D+00
      2  -0.190673D+01  0.797475D-01 -0.249409D+00 -0.983162D+01 -0.135055D+01
      3  -0.351263D+00  0.934254D+00 -0.143588D+01  0.451851D+01  0.519059D+00
      4   0.265795D+01  0.758379D+00 -0.723162D+01  0.292152D+00 -0.120114D+01
      5   0.103866D+01  0.106931D+01 -0.546388D-01 -0.632591D+00  0.149939D+01
      6  -0.208171D+01  0.236154D+00 -0.261323D+01 -0.118143D+00 -0.388709D+01
                16            17            18            19            20 
      1  -0.569874D+01  0.140846D+01  0.583456D+01 -0.512566D+01  0.101371D+02
      2   0.637053D+00 -0.488550D+01  0.104276D+02  0.366391D+00 -0.107266D+02
      3   0.506169D+01  0.347703D+01 -0.162621D+02  0.475927D+01  0.589470D+00
      4  -0.216082D+01 -0.128494D+01  0.592004D+00  0.367949D+01 -0.124498D+02
      5  -0.137197D+01 -0.632780D+00  0.795293D+01 -0.391664D+00 -0.147609D+01
      6   0.123765D+00  0.127842D+01  0.122678D+01 -0.565686D+00 -0.356760D-01
                21            22            23            24            25 
      1  -0.100951D+01  0.401943D+00  0.618704D+01 -0.361776D+00  0.189246D+01
      2  -0.178160D+01 -0.456110D+01 -0.178893D+02  0.853066D+00 -0.207698D+01
      3   0.279111D+01  0.415915D+01  0.117023D+02 -0.491290D+00  0.184515D+00
      4  -0.874015D+00 -0.228671D+02 -0.232348D+02  0.423728D+00 -0.421447D+00
      5  -0.701123D+01 -0.185606D+01 -0.400071D+00 -0.176106D+01  0.201587D+01
      6   0.141685D+01 -0.506222D+00 -0.106859D+01 -0.141814D+02 -0.331881D+00
                26            27            28            29            30 
      1  -0.229629D+01 -0.536159D+01  0.429326D+02 -0.809944D+01 -0.490868D+00
      2   0.158653D+01 -0.679071D+01 -0.261994D+02  0.222002D+01  0.114201D+01
      3   0.709762D+00  0.121523D+02 -0.167332D+02  0.587942D+01 -0.651139D+00
      4   0.264883D+01 -0.227583D+01 -0.199627D+02  0.175726D+02  0.101417D+01
      5  -0.161035D+01  0.315658D+01 -0.169349D+01  0.437760D+00  0.145369D+02
      6   0.368722D+01 -0.114875D-01  0.678501D+00 -0.322843D+00 -0.479706D+01
                31            32            33            34            35 
      1   0.421777D+01  0.994741D+01 -0.721225D+00 -0.136798D+01  0.542493D+00
      2  -0.603101D+01 -0.337207D+01  0.113126D+00  0.181612D+01  0.171426D+00
      3   0.181324D+01 -0.657535D+01  0.608098D+00 -0.448142D+00 -0.713919D+00
      4   0.165798D+02 -0.438916D+01 -0.124190D+01  0.147429D+01 -0.140713D+01
      5  -0.646908D+00 -0.143086D+01 -0.361560D+01  0.136548D+02 -0.563269D+01
      6  -0.877740D+00  0.694629D+00  0.805493D+01 -0.199151D+01  0.521870D+01
                36            37            38            39            40 
      1   0.536855D+01  0.134338D+02  0.159416D+02 -0.682784D+01  0.322188D+02
      2  -0.768614D+01 -0.105511D+02 -0.691142D+01  0.662758D+01 -0.168546D+02
      3   0.231760D+01 -0.288267D+01 -0.903022D+01  0.200252D+00 -0.153642D+02
      4  -0.528389D+01  0.187627D+02  0.224506D+01  0.407594D+01 -0.384901D+01
      5  -0.386131D+01 -0.114562D+02  0.382560D+01  0.932727D+01  0.358603D+01
      6   0.114492D+01  0.232982D+01 -0.868431D+00  0.952468D+00 -0.100727D+01
                41            42            43            44            45 
      1  -0.615606D+01  0.302431D+01 -0.186560D+02  0.342676D+01 -0.531131D+00
      2   0.564875D+01  0.263549D+00  0.101632D+02 -0.133807D+01 -0.563923D+01
      3   0.507312D+00 -0.328786D+01  0.849285D+01 -0.208868D+01  0.617036D+01
      4   0.149659D+02 -0.567197D+01  0.641309D+01 -0.703399D+01  0.263075D+01
      5  -0.495079D+01  0.607288D+01  0.870935D+01  0.337817D+01 -0.762081D+01
      6   0.143203D+01  0.321917D+01 -0.522887D+00  0.307688D+01  0.100356D+01
                46            47            48            49            50 
      1   0.127877D+02 -0.363893D+00  0.154039D+01  0.185296D+01 -0.183111D+02
      2  -0.126521D+02 -0.342917D+01  0.180161D+01 -0.570655D+01  0.285704D+02
      3  -0.135504D+00  0.379307D+01 -0.334199D+01  0.385359D+01 -0.102593D+02
      4  -0.889681D+01 -0.568394D+01  0.349981D+01  0.423891D+00 -0.524189D+01
      5   0.198113D+01  0.143792D+01  0.984355D+00  0.897272D+00  0.674222D+00
      6   0.499872D+01  0.284036D+01 -0.816523D+01  0.323314D+01  0.517313D+01
                51            52            53            54            55 
      1  -0.109379D+01 -0.169519D+00  0.265837D-01  0.619836D+00  0.104957D+02
      2   0.420522D+01  0.304232D+01  0.518953D+01  0.850081D+00 -0.127410D+01
      3  -0.311142D+01 -0.287280D+01 -0.521611D+01 -0.146992D+01 -0.922160D+01
      4   0.187428D+01  0.472048D+01  0.239840D+01 -0.859413D+01  0.173660D+02
      5  -0.217900D+01  0.113089D+01 -0.329090D+01 -0.403589D+01  0.925811D+00
      6   0.337941D+01 -0.971407D+01 -0.420567D+00 -0.129375D+02  0.568755D+00
                56            57            58            59            60 
      1   0.499935D+01 -0.380907D+00  0.824829D+01 -0.214241D+02 -0.117007D+00
      2   0.339369D+01  0.537523D+00  0.291366D+01  0.420566D+02 -0.347282D+00
      3  -0.839303D+01 -0.156616D+00 -0.111619D+02 -0.206325D+02  0.464289D+00
      4   0.222437D+02  0.609872D+00  0.251939D+02  0.465017D+02  0.694413D+00
      5   0.891020D+00  0.752629D+01  0.110305D+01  0.143116D+01  0.915361D+01
      6   0.688665D+00  0.403490D+01  0.995829D+00  0.828768D+00  0.174285D+02
                61            62            63            64            65 
      1  -0.268190D-01  0.352508D+00 -0.351722D+01  0.114294D+01 -0.194673D+00
      2   0.687126D+00 -0.882600D+00  0.279759D+01 -0.379696D+01  0.813524D-01
      3  -0.660307D+00  0.530092D+00  0.719632D+00  0.265403D+01  0.113321D+00
      4  -0.178504D+00 -0.815834D+00  0.109787D+02 -0.508957D+00  0.141395D+01
      5   0.882674D+01  0.110963D+02 -0.491031D+00 -0.163211D+01 -0.382008D+00
      6   0.381284D+01  0.139428D+02 -0.196961D+00 -0.534306D+00  0.433413D+00
                66            67            68            69            70 
      1   0.284306D-01 -0.209704D-01 -0.395371D+01 -0.251572D-02  0.900987D+00
      2   0.143930D+01  0.754763D+00  0.627299D+00 -0.816835D+00  0.248558D+01
      3  -0.146774D+01 -0.733793D+00  0.332641D+01  0.819350D+00 -0.338656D+01
      4  -0.541926D+00  0.268917D+01 -0.225637D+00 -0.470702D+00  0.882184D+00
      5   0.638485D+01  0.184977D+00 -0.782094D+00 -0.818492D+00  0.525202D+01
      6   0.272507D+00 -0.674897D-01  0.193202D+00  0.653725D+01  0.224401D+00
                71            72            73            74            75 
      1   0.146393D+01 -0.168290D+02 -0.760738D+00  0.376770D+00  0.495404D+01
      2  -0.512254D+00 -0.157309D+02 -0.252057D+01 -0.174328D+00 -0.897364D+00
      3  -0.951677D+00  0.325599D+02  0.328130D+01 -0.202442D+00 -0.405667D+01
      4  -0.503059D+00 -0.285858D+00  0.654780D+00  0.917384D+00 -0.135882D+01
      5   0.398822D+00 -0.717336D+01  0.156545D+01 -0.255061D+00  0.421100D+01
      6   0.436004D+01 -0.290144D+01 -0.122205D+01 -0.937223D+00  0.760285D+00
                76            77            78            79            80 
      1   0.134918D+01 -0.522616D+01  0.119660D+01  0.692847D+01  0.285339D+01
      2  -0.725541D+00  0.282872D+01 -0.110748D+01 -0.225870D+01 -0.421833D+00
      3  -0.623635D+00  0.239744D+01 -0.891252D-01 -0.466976D+01 -0.243156D+01
      4   0.184884D+00 -0.123459D+01  0.225101D+01 -0.282352D+01  0.249784D+01
      5  -0.741176D-01  0.199230D+01  0.457817D+00  0.429361D+01 -0.316233D+01
      6  -0.714686D-01 -0.123097D+01  0.572728D+01  0.218002D+00  0.680576D+01
                81            82            83            84            85 
      1  -0.221754D+02 -0.101152D+01 -0.355055D+01 -0.167304D+01 -0.480120D+01
      2  -0.108759D+02  0.317686D+01  0.278885D+01  0.115838D+01  0.316550D+01
      3   0.330513D+02 -0.216534D+01  0.761700D+00  0.514663D+00  0.163569D+01
      4  -0.147441D+01 -0.863568D+00  0.346465D+01  0.118653D+01  0.511929D+01
      5   0.183116D+02 -0.990449D+00  0.424107D+00  0.114431D+01 -0.610224D-01
      6  -0.129961D+02  0.143049D+01  0.166523D+00  0.343973D+00  0.293623D+00
                86            87            88            89            90 
      1  -0.185370D+02 -0.233386D+01 -0.305072D+01 -0.380598D+01 -0.589141D+01
      2   0.313056D+02  0.478954D+01  0.220832D+01  0.570466D+01  0.311913D+01
      3  -0.127686D+02 -0.245568D+01  0.842394D+00 -0.189868D+01  0.277228D+01
      4  -0.172510D+02 -0.207882D+01  0.148309D+01 -0.435233D+01 -0.257175D+01
      5  -0.256102D+01 -0.237181D+01  0.458085D+00 -0.318595D+01 -0.498591D+00
      6   0.359476D+01  0.550797D+01  0.292703D+00  0.644731D+01  0.238970D+01
                91            92            93            94            95 
      1  -0.118007D+02 -0.218491D+01  0.174018D+00 -0.126759D+02 -0.667258D+01
      2   0.100431D+02 -0.586920D+00  0.435902D-01  0.693957D+01  0.106910D+02
      3   0.175766D+01  0.277183D+01 -0.217608D+00  0.573632D+01 -0.401839D+01
      4  -0.783444D+00 -0.156924D+00 -0.486619D+00  0.714447D+01 -0.162943D+02
      5   0.929399D+00  0.493459D+00 -0.175780D+01  0.113824D+01  0.365314D+00
      6  -0.384394D+00 -0.332121D-01 -0.200398D+01 -0.351571D-01  0.347718D+00
                96            97            98            99           100 
      1   0.310063D+00  0.114942D+01  0.259910D+00 -0.114191D+01 -0.799156D+00
      2  -0.265794D+00 -0.792478D+00 -0.384908D+00  0.303854D+00  0.803756D+00
      3  -0.442688D-01 -0.356943D+00  0.124999D+00  0.838059D+00 -0.460014D-02
      4  -0.308970D+00 -0.398509D+00  0.125505D+00 -0.240404D+01  0.199657D+01
      5  -0.384508D+01  0.219927D+01 -0.228971D+01  0.924487D-01  0.224126D+01
      6   0.170831D+01 -0.138796D+01  0.273358D+01 -0.119486D+00  0.220317D+01
               101           102           103           104           105 
      1  -0.787947D+00 -0.808237D+00 -0.436502D-01 -0.320623D+01 -0.153025D+01
      2   0.135910D+01  0.305559D+00  0.412991D+00  0.372570D+01  0.213611D+01
      3  -0.571157D+00  0.502678D+00 -0.369341D+00 -0.519466D+00 -0.605862D+00
      4   0.404815D+01  0.247935D+01  0.370227D+01  0.218222D+01  0.230979D+01
      5   0.136236D+01  0.389247D+01  0.695890D+00  0.152020D+01  0.136879D+01
      6   0.286386D+01  0.481120D+01  0.232350D+01  0.292319D+01  0.607025D+01
               106           107           108           109           110 
      1  -0.866971D-01 -0.550745D+01 -0.901625D+01  0.984577D+00 -0.328420D+01
      2  -0.123172D+01  0.428284D+01 -0.358773D+01  0.567043D+01  0.101258D+02
      3   0.131842D+01  0.122461D+01  0.126040D+02 -0.665501D+01 -0.684156D+01
      4   0.493785D+01  0.439397D+01  0.583643D+01  0.134543D+02  0.142343D+02
      5   0.422365D+01  0.296276D+01  0.773394D+01 -0.364146D+01 -0.282529D+01
      6   0.615015D+01  0.905284D+01  0.219755D+02 -0.602347D+01 -0.565471D+01
               111           112           113           114           115 
      1   0.613508D-01 -0.179759D+01 -0.517858D+01  0.122346D+01  0.103085D+01
      2  -0.264748D+01  0.713872D+01  0.125273D+02 -0.369057D+01 -0.292740D+01
      3   0.258613D+01 -0.534112D+01 -0.734870D+01  0.246711D+01  0.189656D+01
      4  -0.527812D+01  0.125863D+02  0.111326D+02 -0.409756D+01 -0.762763D+01
      5   0.406398D+01 -0.128212D+01 -0.257131D+01  0.168951D+01  0.401225D+01
      6   0.628247D+01 -0.452984D+01 -0.553328D+01  0.522213D+01  0.629547D+01
               116           117           118           119           120 
      1   0.307539D+01 -0.242408D+01  0.461452D+02 -0.145547D+02  0.597414D+01
      2  -0.539352D+01  0.207292D+01 -0.220215D+02  0.609735D+01 -0.274528D+01
      3   0.231813D+01  0.351153D+00 -0.241237D+02  0.845732D+01 -0.322886D+01
      4  -0.644333D+01  0.584338D+01 -0.215003D+02  0.134228D+02 -0.320490D+01
      5   0.314218D+01 -0.330935D+01  0.774037D+01 -0.296938D+01  0.731801D+01
      6   0.750557D+01 -0.622534D+01 -0.909146D+00  0.494547D+00 -0.982879D+00
               121           122           123           124           125 
      1  -0.219916D+02  0.115261D+02 -0.279534D+01  0.111942D+02 -0.359757D+01
      2   0.851665D+01 -0.281394D+01  0.942466D+00 -0.608448D+01  0.152423D+01
      3   0.134750D+02 -0.871214D+01  0.185287D+01 -0.510973D+01  0.207334D+01
      4   0.194734D+02 -0.134642D+02  0.366679D+01 -0.624543D+01  0.443300D+01
      5  -0.444767D+01  0.355857D+01 -0.418998D+01  0.917380D+01 -0.354951D+01
      6   0.106273D+01 -0.950551D+00  0.201764D+01 -0.197947D+01  0.203219D+01
               126 
      1   0.555910D+01
      2  -0.372840D+01
      3  -0.183070D+01
      4  -0.379373D+01
      5   0.352322D+01
      6  -0.941527D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:13:40 2021, MaxMem=  5368709120 cpu:            4387.0 elap:             549.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31149 -19.29463 -19.25712 -14.47142 -10.43104
 Alpha  occ. eigenvalues --  -10.36181 -10.35841  -1.21165  -1.15009  -1.12867
 Alpha  occ. eigenvalues --   -1.02464  -0.86174  -0.75825  -0.69500  -0.66026
 Alpha  occ. eigenvalues --   -0.61865  -0.58843  -0.57596  -0.55589  -0.53902
 Alpha  occ. eigenvalues --   -0.52643  -0.48405  -0.46777  -0.45012  -0.40490
 Alpha  occ. eigenvalues --   -0.39128  -0.38378  -0.35144
 Alpha virt. eigenvalues --    0.02547   0.03996   0.04540   0.05488   0.06789
 Alpha virt. eigenvalues --    0.07491   0.07582   0.08189   0.10638   0.11743
 Alpha virt. eigenvalues --    0.12170   0.12632   0.13396   0.14856   0.15142
 Alpha virt. eigenvalues --    0.15388   0.16068   0.16587   0.17792   0.18728
 Alpha virt. eigenvalues --    0.19111   0.20352   0.20575   0.21578   0.23419
 Alpha virt. eigenvalues --    0.24050   0.25285   0.25501   0.26924   0.27556
 Alpha virt. eigenvalues --    0.28174   0.28497   0.29908   0.30516   0.31180
 Alpha virt. eigenvalues --    0.31415   0.32317   0.32566   0.32983   0.34869
 Alpha virt. eigenvalues --    0.35560   0.37423   0.37777   0.38576   0.39395
 Alpha virt. eigenvalues --    0.40700   0.40893   0.42857   0.43039   0.43914
 Alpha virt. eigenvalues --    0.45543   0.46183   0.46578   0.47515   0.48865
 Alpha virt. eigenvalues --    0.50730   0.51638   0.52512   0.53204   0.54849
 Alpha virt. eigenvalues --    0.55827   0.56932   0.58752   0.59076   0.60531
 Alpha virt. eigenvalues --    0.61069   0.63402   0.63793   0.65272   0.65431
 Alpha virt. eigenvalues --    0.66903   0.67244   0.68927   0.70051   0.71411
 Alpha virt. eigenvalues --    0.72376   0.73878   0.74366   0.75651   0.78082
 Alpha virt. eigenvalues --    0.80285   0.80999   0.81272   0.83759   0.84510
 Alpha virt. eigenvalues --    0.86409   0.87110   0.88537   0.91698   0.92597
 Alpha virt. eigenvalues --    0.93741   0.95300   0.98230   0.99500   1.01568
 Alpha virt. eigenvalues --    1.02836   1.04902   1.06477   1.08146   1.10229
 Alpha virt. eigenvalues --    1.10605   1.12978   1.14211   1.15865   1.17004
 Alpha virt. eigenvalues --    1.18069   1.21740   1.22516   1.24967   1.27428
 Alpha virt. eigenvalues --    1.27822   1.32892   1.34547   1.36602   1.37814
 Alpha virt. eigenvalues --    1.40134   1.43139   1.45129   1.47646   1.49490
 Alpha virt. eigenvalues --    1.53491   1.57146   1.58792   1.61462   1.63648
 Alpha virt. eigenvalues --    1.65246   1.66368   1.68725   1.72118   1.72748
 Alpha virt. eigenvalues --    1.74543   1.79928   1.82233   1.84668   1.86182
 Alpha virt. eigenvalues --    1.88831   1.91494   1.92152   1.95309   1.96580
 Alpha virt. eigenvalues --    1.97382   1.99092   2.01781   2.04991   2.08534
 Alpha virt. eigenvalues --    2.10759   2.12767   2.17170   2.18486   2.19291
 Alpha virt. eigenvalues --    2.20690   2.24230   2.27133   2.27713   2.29977
 Alpha virt. eigenvalues --    2.30548   2.35108   2.35821   2.39209   2.44702
 Alpha virt. eigenvalues --    2.45422   2.48970   2.55299   2.56956   2.60453
 Alpha virt. eigenvalues --    2.63160   2.63861   2.69991   2.72914   2.75647
 Alpha virt. eigenvalues --    2.80831   2.82357   2.89423   2.93065   2.97786
 Alpha virt. eigenvalues --    3.07155   3.11177   3.23358   3.28469   3.36375
 Alpha virt. eigenvalues --    3.41491   3.44523   3.45350   3.47881   3.48731
 Alpha virt. eigenvalues --    3.48794   3.51695   3.52531   3.55598   3.57400
 Alpha virt. eigenvalues --    3.65191   3.68980   3.79772   3.89401   4.05131
 Alpha virt. eigenvalues --    4.05480
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.452373   0.496682  -0.185386  -0.020762   0.080661  -0.105639
     2  C    0.496682   5.947988  -0.608191   0.174877   0.032825   0.128870
     3  C   -0.185386  -0.608191   5.976842  -0.142638  -0.020350  -0.021604
     4  O   -0.020762   0.174877  -0.142638   8.321575  -0.001683  -0.072798
     5  O    0.080661   0.032825  -0.020350  -0.001683   8.257895  -0.035588
     6  N   -0.105639   0.128870  -0.021604  -0.072798  -0.035588   6.688028
     7  O   -0.003291  -0.020279   0.364465  -0.096952   0.001036  -0.009310
     8  H   -0.085384   0.062752  -0.107392   0.014189  -0.019111  -0.058185
     9  H    0.204970  -0.198841   0.040531  -0.006708  -0.084178  -0.059927
    10  H    0.006589   0.041556  -0.051192   0.006105  -0.052246   0.014665
    11  H    0.004351  -0.098487  -0.039588   0.269082  -0.002118   0.060087
    12  H   -0.080418  -0.106237   0.038164  -0.003087  -0.003732   0.422972
    13  H    0.011701   0.038135  -0.013482   0.004219  -0.001099   0.315834
    14  H   -0.039940   0.041340  -0.001374  -0.000138   0.358208   0.003861
               7          8          9         10         11         12
     1  C   -0.003291  -0.085384   0.204970   0.006589   0.004351  -0.080418
     2  C   -0.020279   0.062752  -0.198841   0.041556  -0.098487  -0.106237
     3  C    0.364465  -0.107392   0.040531  -0.051192  -0.039588   0.038164
     4  O   -0.096952   0.014189  -0.006708   0.006105   0.269082  -0.003087
     5  O    0.001036  -0.019111  -0.084178  -0.052246  -0.002118  -0.003732
     6  N   -0.009310  -0.058185  -0.059927   0.014665   0.060087   0.422972
     7  O    8.259837   0.006056   0.007681  -0.000885   0.019234   0.000981
     8  H    0.006056   1.403271   0.084910  -0.055236  -0.006112   0.022800
     9  H    0.007681   0.084910   1.438907  -0.144965  -0.002751   0.017643
    10  H   -0.000885  -0.055236  -0.144965   1.573470   0.000357   0.006198
    11  H    0.019234  -0.006112  -0.002751   0.000357   0.607463  -0.004165
    12  H    0.000981   0.022800   0.017643   0.006198  -0.004165   0.799576
    13  H    0.000671  -0.079873  -0.009665  -0.001225  -0.000513  -0.124094
    14  H   -0.000227  -0.003583  -0.033840  -0.051823   0.000230  -0.003073
              13         14
     1  C    0.011701  -0.039940
     2  C    0.038135   0.041340
     3  C   -0.013482  -0.001374
     4  O    0.004219  -0.000138
     5  O   -0.001099   0.358208
     6  N    0.315834   0.003861
     7  O    0.000671  -0.000227
     8  H   -0.079873  -0.003583
     9  H   -0.009665  -0.033840
    10  H   -0.001225  -0.051823
    11  H   -0.000513   0.000230
    12  H   -0.124094  -0.003073
    13  H    0.815361   0.001425
    14  H    0.001425   0.602315
 Mulliken charges:
               1
     1  C    1.263493
     2  C    0.067009
     3  C    0.771195
     4  O   -0.445280
     5  O   -0.510522
     6  N   -0.271267
     7  O   -0.529015
     8  H   -0.179102
     9  H   -0.253768
    10  H   -0.291370
    11  H    0.192929
    12  H    0.016473
    13  H    0.042605
    14  H    0.126620
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.718356
     2  C   -0.112093
     3  C    0.771195
     4  O   -0.252351
     5  O   -0.383902
     6  N   -0.212189
     7  O   -0.529015
 Electronic spatial extent (au):  <R**2>=            824.4353
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0101    Y=              1.9928    Z=              0.6247  Tot=              4.5213
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.1765   YY=            -42.0903   ZZ=            -39.1773
   XY=             -6.3755   XZ=              2.6831   YZ=             -0.1121
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.6951   YY=              0.3911   ZZ=              3.3041
   XY=             -6.3755   XZ=              2.6831   YZ=             -0.1121
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.9861  YYY=             12.0634  ZZZ=              0.8486  XYY=             14.2120
  XXY=             -5.3503  XXZ=              5.1003  XZZ=              0.4518  YZZ=              2.5154
  YYZ=              0.8992  XYZ=             -1.9201
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -601.3617 YYYY=           -289.5339 ZZZZ=            -62.0261 XXXY=            -51.4541
 XXXZ=             20.5511 YYYX=            -10.6968 YYYZ=              1.4473 ZZZX=              1.5712
 ZZZY=              2.3013 XXYY=           -142.5238 XXZZ=           -119.2930 YYZZ=            -55.1589
 XXYZ=             -5.5114 YYXZ=             -1.4803 ZZXY=              2.3222
 N-N= 3.225312131934D+02 E-N=-1.580467668529D+03  KE= 3.965397652465D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:13:41 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.59951754D+00 7.94022650D-01 2.48180091D-01
 Polarizability= 6.09590844D+01-3.50372554D-01 5.94450683D+01
                -5.67215220D-01-3.40345930D-01 4.34226324D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3267    0.3271       -0.1050   -0.1057
 2     -0.3267   -0.3271        0.1298    0.1301       -0.8349   -0.8348
 3      0.1050    0.1057        9.2756    9.2735       -0.1293   -0.1301
 4     -0.1298   -0.1301       -0.0000    0.0000        0.1066    0.1057
 5     -8.4407   -8.4387       -0.1066   -0.1057        0.3269    0.3271
 6      0.1293    0.1301       -0.3269   -0.3271        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9813   -0.9813       -0.3171   -0.3171
 2     -0.3903   -0.3903        0.0000    0.0000       -0.3171   -0.3171
 3     -0.3903   -0.3903       -0.9813   -0.9813       -0.0000    0.0000
 4     -0.9813   -0.9813        0.3903    0.3903       -2.5044   -2.5044
 5      0.3171    0.3171       27.8206   27.8206       -0.3903   -0.3903
 6    -25.3162  -25.3162       -0.3171   -0.3171        0.9813    0.9813
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1672    0.0000       -1.6844   -1.3083        0.1801    0.4228
 2      1.3290    1.3083       -0.6577   -0.5204        3.1838    3.3392
 3     -0.4662   -0.4228      -37.0104  -37.0941        0.7226    0.5204
 4      0.2632    0.5204       -0.0502    0.0000       -0.3107   -0.4228
 5     33.8166   33.7549        0.5452    0.4228       -1.1076   -1.3083
 6     -0.5884   -0.5204        1.1076    1.3083       -0.0420    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0662    0.0000        4.4462    4.4630       -0.7896   -0.6205
 2     -4.5291   -4.4630       16.5400   16.3384        0.2293    0.4559
 3      0.4411    0.6205        5.3285    5.4955      -16.5179  -16.3384
 4    -16.4153  -16.3384        0.0129    0.0000        0.5568    0.6205
 5     -5.8040   -5.9514       -0.9284   -0.6205        4.5544    4.4630
 6     16.3360   16.3384       -4.4924   -4.4630        0.1700    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.6654   -9.7380        5.5749    5.5590        1.2119    0.9869
 2    -33.5688  -33.6014        6.2628    6.1613        0.9503    0.9869
 3    -33.4874  -33.6014        5.6886    5.5590        1.0120    0.8303
 4     -0.5780   -0.6023       24.1169   23.8634       -0.9229   -0.8532
 5     -0.4235   -0.1566       11.1608   11.3905      -24.1900  -23.8634
 6    -10.4135  -10.5373       -0.2389    0.1566        0.4480    0.6023
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1714   -0.0004    0.0003    0.0009    1.8975    3.7422
 Low frequencies ---   68.2486  116.9717  200.2556
 Diagonal vibrational polarizability:
       31.4846613      37.2093199      65.9170475
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     68.2485               116.9716               200.2556
 Red. masses --      4.4028                 3.3953                 4.3737
 Frc consts  --      0.0121                 0.0274                 0.1033
 IR Inten    --      1.4082                11.8872                23.7884
 RamAct Fr= 1--      0.3756                 0.1172                 0.5998
  Dep-P Fr= 1--      0.7361                 0.6753                 0.7227
  Dep-U Fr= 1--      0.8480                 0.8062                 0.8390
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0003
 Beta2  Fr= 1--      0.0531                 0.0157                 0.0839
 AlphaG Fr= 1--     -0.0009                -0.0003                 0.0010
 Gamma2 Fr= 1--      0.1810                 0.2315                 0.1317
 Delta2 Fr= 1--      0.1431                 0.1663                 0.0051
 Raman1 Fr= 1--       1.503                  0.469                  2.399
 ROA1   Fr= 1--      21.955                 27.541                 12.805
 CID1   Fr= 1--      14.612                 58.760                  5.337
 Raman2 Fr= 1--       0.637                  0.189                  1.006
 ROA2   Fr= 1--       3.199                  4.225                  3.119
 CID2   Fr= 1--       5.022                 22.363                  3.100
 Raman3 Fr= 1--       1.274                  0.378                  2.013
 ROA3   Fr= 1--      21.955                 27.541                 12.805
 CID3   Fr= 1--      17.231                 72.888                  6.362
 RC180  Fr= 1--       0.696                  0.612                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09    -0.01  -0.12  -0.21    -0.14  -0.01  -0.14
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.12    -0.01   0.17  -0.12
     3   6    -0.00  -0.01  -0.02    -0.02   0.00   0.01     0.06   0.05  -0.02
     4   8     0.06  -0.02   0.31     0.03   0.04   0.04    -0.07  -0.09   0.05
     5   8    -0.00  -0.01   0.12    -0.01   0.19   0.20     0.01  -0.21   0.13
     6   7     0.00   0.02  -0.22     0.07  -0.08  -0.05    -0.06   0.14  -0.02
     7   8    -0.03  -0.01  -0.23    -0.05   0.01   0.10     0.25   0.01   0.09
     8   1     0.03  -0.17  -0.06    -0.11   0.00  -0.13    -0.04   0.24  -0.12
     9   1    -0.10   0.18   0.09    -0.21  -0.49  -0.23    -0.29  -0.15  -0.15
    10   1    -0.02   0.01   0.20     0.19  -0.03  -0.56    -0.28   0.07  -0.28
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.21  -0.01   0.01
    12   1     0.30   0.14  -0.31     0.06  -0.16  -0.04    -0.04   0.10  -0.02
    13   1    -0.22   0.05  -0.48     0.14  -0.13  -0.00    -0.10   0.22  -0.01
    14   1    -0.03   0.01   0.22     0.01   0.17   0.11    -0.18  -0.49  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    244.2219               284.8145               321.5384
 Red. masses --      1.1023                 1.1525                 4.5292
 Frc consts  --      0.0387                 0.0551                 0.2759
 IR Inten    --    112.0380                22.5138                 3.2192
 RamAct Fr= 1--      1.2452                 0.4595                 0.2062
  Dep-P Fr= 1--      0.7405                 0.6176                 0.5826
  Dep-U Fr= 1--      0.8509                 0.7636                 0.7362
 Alpha2 Fr= 1--      0.0002                 0.0011                 0.0006
 Beta2  Fr= 1--      0.1766                 0.0585                 0.0253
 AlphaG Fr= 1--     -0.0015                 0.0030                -0.0019
 Gamma2 Fr= 1--     -0.0955                -0.0326                 0.0291
 Delta2 Fr= 1--      0.0342                 0.0055                 0.0036
 Raman1 Fr= 1--       4.981                  1.838                  0.825
 ROA1   Fr= 1--      -8.070                 -2.955                  2.907
 CID1   Fr= 1--      -1.620                 -1.608                  3.524
 Raman2 Fr= 1--       2.119                  0.702                  0.304
 ROA2   Fr= 1--      -2.565                 -0.827                  0.668
 CID2   Fr= 1--      -1.210                 -1.179                  2.201
 Raman3 Fr= 1--       4.238                  1.403                  0.607
 ROA3   Fr= 1--      -8.070                 -2.955                  2.907
 CID3   Fr= 1--      -1.904                 -2.106                  4.786
 RC180  Fr= 1--       0.702                  0.527                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01  -0.01  -0.03    -0.11  -0.05   0.07
     2   6     0.00   0.01  -0.02    -0.00   0.01   0.02    -0.03   0.01   0.08
     3   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01   0.04   0.03
     4   8     0.00  -0.00   0.02    -0.00   0.00  -0.06    -0.15  -0.08  -0.02
     5   8    -0.01  -0.04  -0.05     0.02  -0.01  -0.00    -0.22   0.09  -0.05
     6   7    -0.00   0.00   0.01    -0.00   0.00   0.06     0.33   0.00  -0.02
     7   8     0.02   0.00   0.01    -0.01  -0.01   0.02     0.16   0.01  -0.05
     8   1     0.00   0.03  -0.02    -0.04   0.03   0.02    -0.04  -0.08   0.08
     9   1    -0.02   0.02  -0.02     0.01  -0.06  -0.03    -0.05  -0.04   0.08
    10   1    -0.03  -0.02   0.00    -0.01   0.01  -0.06    -0.08  -0.05   0.08
    11   1    -0.01   0.00  -0.01     0.08  -0.02   0.16    -0.32  -0.01   0.05
    12   1    -0.10  -0.03   0.04     0.65   0.02  -0.12     0.53   0.00  -0.07
    13   1     0.07  -0.01   0.09    -0.51   0.22  -0.41     0.40  -0.25  -0.16
    14   1     0.05   0.49   0.85     0.01   0.07   0.15    -0.09   0.21  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    371.7136               428.1816               526.8821
 Red. masses --      4.4960                 2.8297                 5.8886
 Frc consts  --      0.3660                 0.3057                 0.9631
 IR Inten    --     11.1481                 9.8348                 0.7164
 RamAct Fr= 1--      2.8760                 0.4188                 3.1093
  Dep-P Fr= 1--      0.1447                 0.4271                 0.7194
  Dep-U Fr= 1--      0.2528                 0.5986                 0.8368
 Alpha2 Fr= 1--      0.0451                 0.0028                 0.0016
 Beta2  Fr= 1--      0.1212                 0.0418                 0.4337
 AlphaG Fr= 1--      0.0105                -0.0046                -0.0081
 Gamma2 Fr= 1--     -0.2720                -0.3021                 0.0631
 Delta2 Fr= 1--     -0.1556                -0.1663                 0.0781
 Raman1 Fr= 1--      11.504                  1.675                 12.437
 ROA1   Fr= 1--     -31.092                -34.320                  8.553
 CID1   Fr= 1--      -2.703                -20.486                  0.688
 Raman2 Fr= 1--       1.454                  0.501                  5.204
 ROA2   Fr= 1--      -5.283                 -5.920                  0.888
 CID2   Fr= 1--      -3.632                -11.806                  0.171
 Raman3 Fr= 1--       2.909                  1.003                 10.408
 ROA3   Fr= 1--     -31.092                -34.320                  8.553
 CID3   Fr= 1--     -10.689                -34.224                  0.822
 RC180  Fr= 1--      -0.494                  0.197                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.03   0.07     0.00  -0.17   0.01     0.11  -0.12   0.07
     2   6    -0.00  -0.05  -0.14     0.00  -0.02   0.21    -0.01  -0.16  -0.07
     3   6     0.08  -0.02  -0.11     0.05   0.02   0.09    -0.04   0.21  -0.05
     4   8     0.26   0.09  -0.00     0.09   0.06  -0.03    -0.22   0.12   0.05
     5   8    -0.24   0.05  -0.03    -0.10   0.01  -0.02     0.07   0.01  -0.01
     6   7    -0.07  -0.10   0.10    -0.13   0.07  -0.09    -0.16  -0.27  -0.00
     7   8     0.12  -0.03   0.06     0.09   0.01  -0.07     0.25   0.18  -0.02
     8   1     0.16   0.02  -0.12    -0.01  -0.10   0.20     0.05  -0.24  -0.06
     9   1    -0.24   0.28   0.06     0.12  -0.56   0.02     0.12   0.04   0.07
    10   1    -0.14  -0.04   0.28    -0.05  -0.04  -0.35     0.26  -0.18   0.22
    11   1     0.47  -0.01   0.04     0.16   0.03  -0.11    -0.25   0.15   0.14
    12   1     0.07  -0.29   0.08    -0.27   0.40  -0.08    -0.01  -0.33  -0.04
    13   1    -0.22   0.10   0.10    -0.14   0.01  -0.16    -0.40   0.01  -0.05
    14   1    -0.18   0.03  -0.22     0.03   0.15  -0.03     0.14   0.07  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    614.1270               737.6392               853.8998
 Red. masses --      3.5274                 6.8628                 1.5415
 Frc consts  --      0.7838                 2.2001                 0.6622
 IR Inten    --     20.9959                 9.5910                85.6708
 RamAct Fr= 1--      1.0757                 4.4651                 3.6046
  Dep-P Fr= 1--      0.2420                 0.0618                 0.1405
  Dep-U Fr= 1--      0.3898                 0.1164                 0.2464
 Alpha2 Fr= 1--      0.0130                 0.0858                 0.0571
 Beta2  Fr= 1--      0.0699                 0.0866                 0.1480
 AlphaG Fr= 1--      0.0114                 0.0269                -0.1054
 Gamma2 Fr= 1--      0.5506                -0.1427                -0.7002
 Delta2 Fr= 1--      0.2737                 0.0562                -0.4547
 Raman1 Fr= 1--       4.303                 17.861                 14.419
 ROA1   Fr= 1--      61.615                -11.903                -81.769
 CID1   Fr= 1--      14.320                 -0.666                 -5.671
 Raman2 Fr= 1--       0.839                  1.039                  1.776
 ROA2   Fr= 1--      11.025                 -3.875                -13.166
 CID2   Fr= 1--      13.148                 -3.729                 -7.413
 Raman3 Fr= 1--       1.677                  2.079                  3.552
 ROA3   Fr= 1--      61.615                -11.903                -81.769
 CID3   Fr= 1--      36.741                 -5.727                -23.019
 RC180  Fr= 1--      -0.220                 -0.767                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.10    -0.03   0.05  -0.07     0.04  -0.09   0.02
     2   6    -0.19  -0.03   0.04     0.10  -0.01  -0.07     0.02  -0.02  -0.09
     3   6    -0.06  -0.04   0.25     0.34   0.11   0.36    -0.01  -0.01   0.06
     4   8     0.03   0.13  -0.07     0.06  -0.25  -0.10    -0.03   0.02  -0.05
     5   8     0.08  -0.02   0.02    -0.08  -0.01   0.02    -0.02  -0.00   0.01
     6   7     0.01  -0.07  -0.01    -0.06  -0.13  -0.02    -0.03   0.12  -0.02
     7   8     0.12  -0.09  -0.10    -0.14   0.25  -0.08     0.00  -0.03  -0.00
     8   1    -0.63  -0.06  -0.02    -0.32  -0.11  -0.11    -0.06  -0.03  -0.09
     9   1    -0.09   0.28  -0.10    -0.18   0.23  -0.07    -0.01   0.05   0.02
    10   1    -0.02   0.10   0.05    -0.07  -0.00   0.10     0.10  -0.14   0.15
    11   1     0.28   0.02   0.00    -0.42  -0.00   0.10     0.16  -0.03   0.86
    12   1     0.03  -0.16  -0.00    -0.08  -0.22  -0.00     0.00  -0.14   0.01
    13   1     0.20  -0.28   0.04    -0.18   0.12   0.06     0.19   0.05   0.19
    14   1    -0.12  -0.18   0.16    -0.09  -0.02   0.01     0.11   0.11  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    860.7673               888.2992               965.1051
 Red. masses --      2.0260                 1.6960                 1.4519
 Frc consts  --      0.8844                 0.7885                 0.7968
 IR Inten    --     20.3436                71.5909                56.8199
 RamAct Fr= 1--      5.9851                 1.9209                 0.4206
  Dep-P Fr= 1--      0.0494                 0.4003                 0.6472
  Dep-U Fr= 1--      0.0941                 0.5717                 0.7858
 Alpha2 Fr= 1--      0.1184                 0.0142                 0.0008
 Beta2  Fr= 1--      0.0939                 0.1830                 0.0551
 AlphaG Fr= 1--      0.0808                 0.0286                 0.0056
 Gamma2 Fr= 1--     -0.2792                 0.5311                 0.4641
 Delta2 Fr= 1--     -0.1453                 0.3110                 0.3297
 Raman1 Fr= 1--      23.940                  7.684                  1.682
 ROA1   Fr= 1--     -31.448                 60.938                 55.106
 CID1   Fr= 1--      -1.314                  7.931                 32.758
 Raman2 Fr= 1--       1.126                  2.196                  0.661
 ROA2   Fr= 1--      -5.537                 10.259                  8.502
 CID2   Fr= 1--      -4.917                  4.671                 12.863
 Raman3 Fr= 1--       2.252                  4.393                  1.322
 ROA3   Fr= 1--     -31.448                 60.938                 55.106
 CID3   Fr= 1--     -13.962                 13.872                 41.687
 RC180  Fr= 1--      -0.812                  0.143                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07   0.01    -0.03   0.10  -0.01     0.01  -0.08  -0.06
     2   6    -0.12  -0.03   0.11     0.09   0.05   0.05    -0.09  -0.01   0.05
     3   6     0.04   0.04  -0.15    -0.02  -0.01  -0.00    -0.01   0.02  -0.07
     4   8     0.07  -0.07  -0.02    -0.04   0.02  -0.02     0.04  -0.04  -0.00
     5   8     0.05   0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01   0.02
     6   7    -0.06  -0.02  -0.02     0.07  -0.14  -0.05     0.06  -0.01   0.01
     7   8    -0.00   0.08   0.04     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1    -0.04  -0.07   0.12     0.19  -0.01   0.06    -0.34   0.23   0.01
     9   1     0.08  -0.15   0.01     0.00  -0.12  -0.01    -0.06   0.37  -0.07
    10   1    -0.07   0.13  -0.18    -0.16   0.19  -0.23     0.16  -0.25   0.36
    11   1    -0.02  -0.01   0.59     0.16  -0.05   0.59     0.04  -0.03   0.14
    12   1     0.22  -0.12  -0.08    -0.45   0.21   0.05    -0.33   0.48   0.06
    13   1     0.30  -0.53  -0.03    -0.22   0.28  -0.01    -0.18   0.13  -0.14
    14   1    -0.08  -0.10   0.08    -0.11  -0.08   0.07     0.03   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1048.8272              1090.8141              1112.7915
 Red. masses --      4.0101                 2.2742                 2.1750
 Frc consts  --      2.5991                 1.5943                 1.5869
 IR Inten    --    108.1381                28.2020                42.6417
 RamAct Fr= 1--      4.7185                 2.1365                 2.3923
  Dep-P Fr= 1--      0.3527                 0.4355                 0.7464
  Dep-U Fr= 1--      0.5215                 0.6067                 0.8548
 Alpha2 Fr= 1--      0.0411                 0.0139                 0.0001
 Beta2  Fr= 1--      0.4101                 0.2161                 0.3408
 AlphaG Fr= 1--      0.0403                -0.0166                 0.0000
 Gamma2 Fr= 1--     -0.1434                 0.8862                 0.1351
 Delta2 Fr= 1--      0.3159                 0.4741                -0.7590
 Raman1 Fr= 1--      18.874                  8.546                  9.569
 ROA1   Fr= 1--      -3.658                100.244                -11.319
 CID1   Fr= 1--      -0.194                 11.730                 -1.183
 Raman2 Fr= 1--       4.922                  2.593                  4.090
 ROA2   Fr= 1--      -5.968                 17.475                  9.314
 CID2   Fr= 1--      -1.213                  6.740                  2.277
 Raman3 Fr= 1--       9.843                  5.185                  8.180
 ROA3   Fr= 1--      -3.658                100.244                -11.319
 CID3   Fr= 1--      -0.372                 19.333                 -1.384
 RC180  Fr= 1--       0.043                  0.213                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.26  -0.13   0.20     0.19   0.08   0.07     0.05  -0.06   0.06
     2   6    -0.12   0.06  -0.09    -0.15   0.03  -0.05    -0.03   0.26  -0.01
     3   6    -0.06   0.04   0.06    -0.05   0.03  -0.03     0.03  -0.02   0.00
     4   8     0.07  -0.07  -0.02     0.05  -0.05  -0.00     0.01   0.02  -0.00
     5   8     0.23   0.09  -0.09    -0.10  -0.07   0.02    -0.01  -0.03   0.02
     6   7     0.07   0.00  -0.01     0.07   0.01  -0.01    -0.03  -0.13  -0.04
     7   8     0.00   0.03  -0.01     0.01   0.03   0.00    -0.02  -0.04   0.00
     8   1    -0.03  -0.25  -0.06    -0.40  -0.23  -0.07    -0.18   0.51  -0.04
     9   1    -0.12  -0.41   0.19     0.24  -0.36   0.09    -0.00  -0.03   0.06
    10   1    -0.22  -0.01  -0.13     0.27   0.17  -0.25    -0.19  -0.01   0.03
    11   1     0.11  -0.08  -0.05     0.06  -0.05  -0.07    -0.03   0.03   0.02
    12   1    -0.19  -0.18   0.06    -0.14  -0.26   0.05     0.08  -0.12  -0.08
    13   1    -0.18   0.47   0.12    -0.14   0.43   0.12     0.05  -0.33  -0.10
    14   1     0.20   0.07  -0.04     0.00   0.04  -0.02     0.45   0.37  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1188.4043              1214.3847              1238.3080
 Red. masses --      1.3754                 2.3294                 1.2882
 Frc consts  --      1.1444                 2.0240                 1.1638
 IR Inten    --      3.4605                13.8222                26.8324
 RamAct Fr= 1--      3.5484                 4.7348                 2.8621
  Dep-P Fr= 1--      0.5883                 0.2897                 0.6432
  Dep-U Fr= 1--      0.7408                 0.4493                 0.7829
 Alpha2 Fr= 1--      0.0107                 0.0501                 0.0055
 Beta2  Fr= 1--      0.4381                 0.3545                 0.3734
 AlphaG Fr= 1--     -0.0141                 0.0110                -0.0066
 Gamma2 Fr= 1--      1.3738                -0.6923                -0.2779
 Delta2 Fr= 1--      0.1822                -0.1502                -0.3937
 Raman1 Fr= 1--      14.194                 18.939                 11.448
 ROA1   Fr= 1--     137.718                -71.269                -39.279
 CID1   Fr= 1--       9.703                 -3.763                 -3.431
 Raman2 Fr= 1--       5.257                  4.254                  4.481
 ROA2   Fr= 1--      31.515                -15.415                 -3.520
 CID2   Fr= 1--       5.995                 -3.623                 -0.786
 Raman3 Fr= 1--      10.514                  8.509                  8.962
 ROA3   Fr= 1--     137.718                -71.269                -39.279
 CID3   Fr= 1--      13.098                 -8.376                 -4.383
 RC180  Fr= 1--       0.482                 -0.101                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.10    -0.03  -0.01   0.03    -0.01   0.07   0.00
     2   6    -0.04  -0.04  -0.09    -0.02   0.01   0.04     0.05  -0.11   0.01
     3   6     0.05  -0.02   0.04     0.25  -0.09  -0.10    -0.02   0.01  -0.03
     4   8    -0.01   0.02  -0.01    -0.06   0.12   0.02    -0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.04     0.02   0.02  -0.02     0.01  -0.04   0.01
     6   7     0.00  -0.00   0.05     0.01   0.01  -0.01     0.01   0.03   0.03
     7   8    -0.00  -0.00  -0.01    -0.04  -0.08   0.01     0.01   0.02   0.00
     8   1     0.10   0.33  -0.09    -0.55  -0.28  -0.02    -0.31  -0.13  -0.03
     9   1    -0.36  -0.27   0.07    -0.09  -0.06   0.02    -0.46   0.00  -0.04
    10   1     0.50   0.07  -0.19     0.04  -0.01  -0.01    -0.30   0.16  -0.14
    11   1    -0.07   0.05   0.05    -0.51   0.32   0.10     0.07  -0.04  -0.03
    12   1    -0.07   0.45   0.02    -0.05  -0.16   0.02    -0.02   0.14   0.02
    13   1     0.01  -0.28  -0.19    -0.11   0.26   0.06     0.01  -0.01  -0.01
    14   1    -0.07  -0.07   0.04    -0.06  -0.06   0.04     0.50   0.40  -0.27
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1272.6215              1316.5925              1403.1630
 Red. masses --      1.4807                 1.2357                 1.2749
 Frc consts  --      1.4129                 1.2620                 1.4789
 IR Inten    --      2.5531                12.5220                21.7728
 RamAct Fr= 1--      3.0836                 4.0580                 4.5123
  Dep-P Fr= 1--      0.3809                 0.7135                 0.6545
  Dep-U Fr= 1--      0.5516                 0.8328                 0.7912
 Alpha2 Fr= 1--      0.0244                 0.0026                 0.0077
 Beta2  Fr= 1--      0.2835                 0.5632                 0.5950
 AlphaG Fr= 1--      0.0244                -0.0057                 0.0079
 Gamma2 Fr= 1--     -0.2735                -0.4311                 1.1116
 Delta2 Fr= 1--     -1.1160                 0.3017                -0.4125
 Raman1 Fr= 1--      12.335                 16.232                 18.049
 ROA1   Fr= 1--     -61.970                -31.733                 93.514
 CID1   Fr= 1--      -5.024                 -1.955                  5.181
 Raman2 Fr= 1--       3.402                  6.759                  7.140
 ROA2   Fr= 1--       2.363                -12.761                 29.978
 CID2   Fr= 1--       0.695                 -1.888                  4.198
 Raman3 Fr= 1--       6.804                 13.518                 14.281
 ROA3   Fr= 1--     -61.970                -31.733                 93.514
 CID3   Fr= 1--      -9.108                 -2.347                  6.548
 RC180  Fr= 1--       0.103                  0.666                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.01   0.02  -0.06     0.02   0.01   0.01
     2   6    -0.14  -0.05  -0.08    -0.08   0.04   0.07    -0.03  -0.12   0.04
     3   6     0.07  -0.02   0.03     0.01  -0.00   0.02    -0.01   0.01   0.01
     4   8    -0.00   0.03  -0.01     0.02   0.00  -0.01     0.03   0.00  -0.00
     5   8    -0.00  -0.01   0.04     0.00  -0.04   0.00     0.00   0.01  -0.00
     6   7     0.03   0.01   0.05     0.01  -0.00  -0.03     0.02   0.02  -0.06
     7   8    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
     8   1     0.45  -0.14  -0.02     0.57  -0.23   0.16     0.10   0.79   0.03
     9   1     0.49   0.03   0.00    -0.44   0.14  -0.09    -0.07  -0.06   0.01
    10   1    -0.49   0.07  -0.02     0.40  -0.06   0.03    -0.22   0.04   0.01
    11   1    -0.19   0.12   0.06    -0.14   0.08   0.03    -0.26   0.15   0.03
    12   1    -0.12   0.27   0.05    -0.01  -0.21  -0.00     0.03  -0.27  -0.04
    13   1    -0.06  -0.08  -0.13    -0.04   0.15   0.06    -0.03   0.30   0.13
    14   1     0.20   0.17  -0.09     0.23   0.17  -0.12    -0.02  -0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1414.9043              1444.8754              1519.8430
 Red. masses --      1.6567                 1.4536                 1.0842
 Frc consts  --      1.9541                 1.7880                 1.4756
 IR Inten    --    394.6915                 2.0591                 2.7722
 RamAct Fr= 1--      3.1609                 0.4960                 4.0779
  Dep-P Fr= 1--      0.2210                 0.3792                 0.7387
  Dep-U Fr= 1--      0.3620                 0.5498                 0.8497
 Alpha2 Fr= 1--      0.0406                 0.0040                 0.0008
 Beta2  Fr= 1--      0.1907                 0.0455                 0.5775
 AlphaG Fr= 1--     -0.0320                 0.0066                -0.0025
 Gamma2 Fr= 1--      0.1408                 0.3505                 0.1939
 Delta2 Fr= 1--      0.2074                 0.1252                -0.1110
 Raman1 Fr= 1--      12.643                  1.984                 16.312
 ROA1   Fr= 1--      20.150                 37.658                 15.063
 CID1   Fr= 1--       1.594                 18.981                  0.923
 Raman2 Fr= 1--       2.289                  0.545                  6.930
 ROA2   Fr= 1--       1.719                  7.412                  5.542
 CID2   Fr= 1--       0.751                 13.588                  0.800
 Raman3 Fr= 1--       4.577                  1.091                 13.860
 ROA3   Fr= 1--      20.150                 37.658                 15.063
 CID3   Fr= 1--       4.402                 34.520                  1.087
 RC180  Fr= 1--      -0.276                  0.100                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.16   0.07  -0.03     0.02   0.06  -0.05
     2   6    -0.07  -0.03   0.03     0.05  -0.04   0.01     0.00   0.01  -0.00
     3   6     0.15  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   8    -0.12   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   8     0.01  -0.00   0.00    -0.00  -0.05   0.03     0.00   0.01  -0.00
     6   7     0.02   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
     7   8    -0.01   0.06   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.12   0.22   0.04    -0.10   0.17  -0.01     0.02  -0.06  -0.00
     9   1    -0.00  -0.02  -0.00     0.63  -0.13   0.03    -0.13  -0.67  -0.03
    10   1    -0.01  -0.00   0.02     0.56  -0.05   0.06    -0.13  -0.19   0.68
    11   1     0.79  -0.44  -0.15    -0.04   0.02   0.00    -0.00   0.00   0.00
    12   1    -0.01  -0.19  -0.00     0.02  -0.02  -0.01    -0.02   0.01   0.01
    13   1    -0.00   0.09   0.02    -0.00   0.06   0.04    -0.00  -0.04  -0.03
    14   1     0.03   0.02  -0.01     0.31   0.24  -0.16    -0.01  -0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.0515              1836.6731              2980.2718
 Red. masses --      1.0902                 9.7208                 1.0693
 Frc consts  --      1.7850                19.3203                 5.5959
 IR Inten    --     36.7159               312.4880                44.1429
 RamAct Fr= 1--      2.8379                13.0858               126.9389
  Dep-P Fr= 1--      0.6419                 0.2894                 0.1190
  Dep-U Fr= 1--      0.7819                 0.4489                 0.2127
 Alpha2 Fr= 1--      0.0055                 0.1385                 2.1210
 Beta2  Fr= 1--      0.3698                 0.9791                 4.4992
 AlphaG Fr= 1--      0.0019                 0.1090                -0.1724
 Gamma2 Fr= 1--      0.0849                 0.4151                 2.1487
 Delta2 Fr= 1--     -0.1529                 0.1470                 2.3712
 Raman1 Fr= 1--      11.352                 52.343                507.756
 ROA1   Fr= 1--       3.260                 44.554                282.155
 CID1   Fr= 1--       0.287                  0.851                  0.556
 Raman2 Fr= 1--       4.438                 11.749                 53.991
 ROA2   Fr= 1--       3.262                  8.787                 32.600
 CID2   Fr= 1--       0.735                  0.748                  0.604
 Raman3 Fr= 1--       8.876                 23.499                107.981
 ROA3   Fr= 1--       3.260                 44.554                282.155
 CID3   Fr= 1--       0.367                  1.896                  2.613
 RC180  Fr= 1--       0.564                 -0.102                 -0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.02  -0.01     0.00   0.01  -0.07
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01    -0.00  -0.00   0.01
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.02     0.00   0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.01    -0.00  -0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.00   0.02   0.00     0.02  -0.01  -0.12
     9   1    -0.00  -0.02  -0.00     0.04  -0.02  -0.02    -0.07   0.02   0.96
    10   1    -0.01  -0.00   0.02     0.06   0.02   0.01    -0.03  -0.19  -0.09
    11   1     0.02  -0.02  -0.02     0.47  -0.20  -0.09     0.00  -0.00  -0.00
    12   1     0.43   0.53  -0.17    -0.00   0.01   0.00     0.00   0.01   0.00
    13   1     0.22   0.31   0.59     0.02  -0.03   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.03   0.02  -0.01     0.01   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.3174              3076.2338              3447.4961
 Red. masses --      1.0819                 1.0941                 1.0641
 Frc consts  --      5.9115                 6.1003                 7.4515
 IR Inten    --      6.6796                19.6530               254.2070
 RamAct Fr= 1--     60.3172                69.3532                73.4828
  Dep-P Fr= 1--      0.2865                 0.2350                 0.0786
  Dep-U Fr= 1--      0.4454                 0.3805                 0.1457
 Alpha2 Fr= 1--      0.6439                 0.8569                 1.3553
 Beta2  Fr= 1--      4.4774                 4.3986                 1.7849
 AlphaG Fr= 1--     -0.0924                -0.5682                 0.1230
 Gamma2 Fr= 1--      1.2215                -4.6283                 0.4876
 Delta2 Fr= 1--      2.0191                -3.7128                 1.5969
 Raman1 Fr= 1--     241.269                277.413                293.931
 ROA1   Fr= 1--     181.877               -563.128                 97.908
 CID1   Fr= 1--       0.754                 -2.030                  0.333
 Raman2 Fr= 1--      53.729                 52.784                 21.419
 ROA2   Fr= 1--      13.164                -81.377                 -1.074
 CID2   Fr= 1--       0.245                 -1.542                 -0.050
 Raman3 Fr= 1--     107.459                105.568                 42.838
 ROA3   Fr= 1--     181.877               -563.128                 97.908
 CID3   Fr= 1--       1.693                 -5.334                  2.286
 RC180  Fr= 1--      -0.109                 -0.239                 -0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00    -0.01  -0.07  -0.04     0.00  -0.00   0.00
     2   6     0.01  -0.00  -0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.12   0.03   0.96    -0.02   0.00   0.18    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.08    -0.01  -0.01   0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.19  -0.07     0.11   0.90   0.31     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.89  -0.04
    12   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.03   0.01   0.11
    13   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.05
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3489.5718              3575.2885              3819.9422
 Red. masses --      1.0535                 1.0893                 1.0666
 Frc consts  --      7.5587                 8.2039                 9.1698
 IR Inten    --      0.6421                11.0645                41.5137
 RamAct Fr= 1--     79.9707                54.7101               119.6204
  Dep-P Fr= 1--      0.0929                 0.5055                 0.2235
  Dep-U Fr= 1--      0.1700                 0.6716                 0.3653
 Alpha2 Fr= 1--      1.4247                 0.2632                 1.5253
 Beta2  Fr= 1--      2.2654                 6.1237                 7.2829
 AlphaG Fr= 1--     -0.1499                 0.0805                -0.0250
 Gamma2 Fr= 1--     -2.3282                 1.3104                -0.5899
 Delta2 Fr= 1--     -0.7711                -0.6363                 0.2026
 Raman1 Fr= 1--     319.883                218.840                478.481
 ROA1   Fr= 1--    -248.180                105.441                -50.145
 CID1   Fr= 1--      -0.776                  0.482                 -0.105
 Raman2 Fr= 1--      27.185                 73.484                 87.395
 ROA2   Fr= 1--     -49.707                 36.541                -15.778
 CID2   Fr= 1--      -1.828                  0.497                 -0.181
 Raman3 Fr= 1--      54.370                146.968                174.790
 ROA3   Fr= 1--    -248.180                105.441                -50.145
 CID3   Fr= 1--      -4.565                  0.717                 -0.287
 RC180  Fr= 1--      -0.660                  0.343                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04  -0.02
     6   7    -0.03  -0.02  -0.04    -0.03  -0.03   0.06     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1    -0.06  -0.12   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    12   1     0.20   0.07   0.86    -0.13  -0.04  -0.42    -0.00   0.00  -0.00
    13   1     0.29   0.22  -0.26     0.62   0.43  -0.48     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.73  -0.61   0.31

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   388.76435 972.127941302.98985
           X            0.99962  -0.02684   0.00649
           Y            0.02687   0.99963  -0.00380
           Z           -0.00639   0.00397   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22279     0.08910     0.06647
 Rotational constants (GHZ):           4.64225     1.85649     1.38508
 Zero-point vibrational energy     297188.5 (Joules/Mol)
                                   71.02976 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     98.19   168.30   288.12   351.38   409.78
          (Kelvin)            462.62   534.81   616.06   758.07   883.59
                             1061.30  1228.57  1238.45  1278.06  1388.57
                             1509.03  1569.44  1601.06  1709.85  1747.23
                             1781.65  1831.02  1894.28  2018.84  2035.73
                             2078.85  2186.72  2398.52  2642.56  4287.95
                             4381.53  4426.01  4960.18  5020.72  5144.04
                             5496.04
 
 Zero-point correction=                           0.113193 (Hartree/Particle)
 Thermal correction to Energy=                    0.120895
 Thermal correction to Enthalpy=                  0.121839
 Thermal correction to Gibbs Free Energy=         0.081041
 Sum of electronic and zero-point Energies=           -399.039687
 Sum of electronic and thermal Energies=              -399.031985
 Sum of electronic and thermal Enthalpies=            -399.031040
 Sum of electronic and thermal Free Energies=         -399.071838
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.863             26.963             85.867
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.690
 Vibrational             74.085             21.001             18.313
 Vibration     1          0.598              1.969              4.203
 Vibration     2          0.608              1.935              3.150
 Vibration     3          0.638              1.840              2.131
 Vibration     4          0.660              1.772              1.772
 Vibration     5          0.683              1.702              1.505
 Vibration     6          0.707              1.632              1.302
 Vibration     7          0.743              1.530              1.073
 Vibration     8          0.790              1.409              0.865
 Vibration     9          0.882              1.190              0.594
 Vibration    10          0.974              1.002              0.426
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.529199D-37        -37.276381        -85.832039
 Total V=0       0.614892D+15         14.788799         34.052468
 Vib (Bot)       0.497847D-50        -50.302904       -115.826717
 Vib (Bot)    1  0.302264D+01          0.480387          1.106132
 Vib (Bot)    2  0.174828D+01          0.242610          0.558631
 Vib (Bot)    3  0.995605D+00         -0.001913         -0.004404
 Vib (Bot)    4  0.801323D+00         -0.096193         -0.221492
 Vib (Bot)    5  0.673315D+00         -0.171782         -0.395542
 Vib (Bot)    6  0.584095D+00         -0.233516         -0.537691
 Vib (Bot)    7  0.489209D+00         -0.310506         -0.714966
 Vib (Bot)    8  0.407503D+00         -0.389869         -0.897706
 Vib (Bot)    9  0.304419D+00         -0.516529         -1.189352
 Vib (Bot)   10  0.239602D+00         -0.620510         -1.428776
 Vib (V=0)       0.578464D+02          1.762276          4.057791
 Vib (V=0)    1  0.356372D+01          0.551904          1.270805
 Vib (V=0)    2  0.231837D+01          0.365183          0.840865
 Vib (V=0)    3  0.161411D+01          0.207932          0.478781
 Vib (V=0)    4  0.144452D+01          0.159724          0.367777
 Vib (V=0)    5  0.133866D+01          0.126671          0.291670
 Vib (V=0)    6  0.126887D+01          0.103419          0.238130
 Vib (V=0)    7  0.119952D+01          0.079007          0.181920
 Vib (V=0)    8  0.114503D+01          0.058815          0.135428
 Vib (V=0)    9  0.108538D+01          0.035582          0.081931
 Vib (V=0)   10  0.105444D+01          0.023024          0.053014
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.251201D+06          5.400021         12.434008
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        3 3 3           33 2                                     1     1    1 111  11111 11 1                                  
     8        5 4 4           00 9                                     8     6    5 444  32221 10 0 9 888   7   6  5  4 3 322 2  1   
     2        7 9 4           74 8                                     3     6    2 410  17318 19 4 6 865   3   1  2  2 7 284 0  16  
     0        5 0 7           65 0                                     7     7    0 553  73848 31 9 5 814   8   4  7  8 2 254 0  78  
 
     X        X X X           XX X                                     X     X    X XXX  XXXXX XX X X XXX   X   X  X  X X XXX X  XX  
     X            X              X                                     X     X       X         X  X X X X                   X        
                  X                                                    X             X            X X X X                   X        
                  X                                                    X             X            X   X X                   X        
                  X                                                    X             X            X                         X        
                  X                                                    X             X                                      X        
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000020648    0.000002176    0.000006413
      2        6          -0.000017274    0.000010208   -0.000002417
      3        6           0.000024474    0.000008749   -0.000000153
      4        8           0.000004918    0.000014862   -0.000000745
      5        8          -0.000019927   -0.000006786   -0.000004611
      6        7          -0.000002180   -0.000005458   -0.000009011
      7        8          -0.000005130   -0.000011841    0.000001402
      8        1          -0.000000218    0.000000379    0.000000097
      9        1          -0.000000365   -0.000001680    0.000000984
     10        1           0.000000872    0.000000190   -0.000001714
     11        1          -0.000010690   -0.000012380    0.000001031
     12        1           0.000002003    0.000000976    0.000002479
     13        1           0.000003500   -0.000000120    0.000001222
     14        1          -0.000000632    0.000000725    0.000005021
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024474 RMS     0.000008278
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.665495D+02 -0.211410D+00 -0.654174D+00
      2  -0.211410D+00  0.648799D+02 -0.260190D+00
      3  -0.654174D+00 -0.260190D+00  0.480025D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.692046D+00 -0.177595D+01 -0.148650D+01
      2   0.239643D+01 -0.919997D+00  0.111923D+02
      3   0.594947D+01  0.514610D+01  0.205569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.304566D+02 -0.452202D+01 -0.134077D+01
      2  -0.200973D+02  0.288276D+01 -0.217109D+01
      3  -0.103593D+02  0.163926D+01  0.351186D+01
      4   0.855766D+00 -0.851041D+01 -0.349276D+01
      5   0.336843D+01 -0.553337D+01  0.250910D+02
      6  -0.187874D+01  0.238148D+01  0.641473D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.973146D+00 -0.228988D+01  0.109696D+01 -0.305055D+01  0.127605D+01
      2  -0.228988D+01  0.252645D+01 -0.386037D+00  0.127605D+01  0.421621D+01
      3   0.109696D+01 -0.386037D+00  0.141440D+01 -0.311508D-01  0.173875D+01
                 6             7             8             9            10 
      1  -0.311508D-01  0.184615D+01 -0.318095D+00  0.124177D+01  0.118575D+01
      2   0.173875D+01 -0.318095D+00  0.213805D+01  0.852622D+00  0.309375D+01
      3   0.457696D+00  0.124177D+01  0.852622D+00 -0.787956D+01 -0.677104D+00
                11            12            13            14            15 
      1   0.309375D+01 -0.677104D+00  0.239485D+01 -0.310322D+00  0.303871D-01
      2  -0.231018D+01  0.596751D+00 -0.310322D+00 -0.361905D+01 -0.894812D+00
      3   0.596751D+00 -0.591103D+00  0.303871D-01 -0.894812D+00  0.413999D+00
                16            17            18            19            20 
      1  -0.521732D+00  0.110236D+01 -0.749997D+00 -0.220824D+01 -0.180123D+01
      2   0.110236D+01 -0.150543D+01 -0.101954D+00 -0.180123D+01  0.178593D+01
      3  -0.749997D+00 -0.101954D+00  0.702700D+01 -0.118727D+00  0.697789D-02
                21            22            23            24            25 
      1  -0.118727D+00 -0.356497D+00  0.255011D+01  0.117606D+00  0.369308D-01
      2   0.697789D-02  0.255011D+01  0.627087D+01 -0.596447D-01  0.171931D+00
      3  -0.395256D+00  0.117606D+00 -0.596447D-01  0.474817D+00 -0.191926D+00
                26            27            28            29            30 
      1   0.171931D+00 -0.191926D+00 -0.792449D+01  0.163701D+01  0.388423D+00
      2   0.401461D+00  0.360496D+00  0.163701D+01 -0.271266D+01 -0.198011D+00
      3   0.360496D+00 -0.460068D+00  0.388423D+00 -0.198011D+00 -0.987331D+00
                31            32            33            34            35 
      1  -0.175945D+01 -0.374951D+01 -0.815595D-01  0.949991D+00 -0.175875D+00
      2  -0.374951D+01 -0.748356D+00  0.184036D+00 -0.175875D+00  0.156749D+00
      3  -0.815595D-01  0.184036D+00  0.586020D+00 -0.172380D+01  0.118732D+01
                36            37            38            39            40 
      1  -0.172380D+01  0.154914D+01  0.288790D+01 -0.158547D+01  0.609918D+01
      2   0.118732D+01  0.288790D+01 -0.103829D+01  0.583253D+00 -0.707831D+00
      3   0.707005D+00 -0.158547D+01  0.583253D+00 -0.502317D+00  0.556374D+00
                41            42            43            44            45 
      1  -0.707831D+00  0.556374D+00 -0.366377D+01  0.724232D+00  0.776904D+00
      2   0.241564D+01 -0.101943D+01  0.724232D+00 -0.105054D+01  0.478325D+00
      3  -0.101943D+01  0.612649D+00  0.776904D+00  0.478325D+00 -0.735635D+00
                46            47            48            49            50 
      1  -0.230052D+01 -0.215129D+01  0.110346D+01 -0.119285D+01 -0.154706D+01
      2  -0.215129D+01 -0.116596D+01  0.111329D+00 -0.154706D+01  0.526373D+01
      3   0.110346D+01  0.111329D+00 -0.187315D+01  0.365401D+00  0.787213D+00
                51            52            53            54            55 
      1   0.365401D+00  0.134100D+01  0.354623D+00 -0.204638D+01 -0.206600D+01
      2   0.787213D+00  0.354623D+00  0.882816D+00 -0.703037D+00 -0.322954D+01
      3  -0.615673D+00 -0.204638D+01 -0.703037D+00 -0.433245D+01 -0.343903D-02
                56            57            58            59            60 
      1  -0.322954D+01 -0.343903D-02 -0.415975D+01 -0.276842D+01  0.121079D-02
      2  -0.281601D+01 -0.183230D+00 -0.276842D+01 -0.130745D+02  0.430710D-01
      3  -0.183230D+00 -0.303768D+00  0.121079D-02  0.430710D-01 -0.245008D+01
                61            62            63            64            65 
      1  -0.135644D+00  0.554861D-02 -0.104593D+01  0.472934D+00 -0.504974D+00
      2   0.554861D-02  0.179076D+00 -0.316095D+01 -0.504974D+00  0.504398D+00
      3  -0.104593D+01 -0.316095D+01  0.120764D+00 -0.101678D+01 -0.944808D-01
                66            67            68            69            70 
      1  -0.101678D+01 -0.816129D+00  0.367082D+00  0.681088D-01 -0.198906D+01
      2  -0.944808D-01  0.367082D+00  0.648726D+00 -0.101288D+01 -0.194258D+00
      3   0.100506D+01  0.681088D-01 -0.101288D+01 -0.273985D+00  0.711650D+00
                71            72            73            74            75 
      1  -0.194258D+00  0.711650D+00 -0.457758D+00  0.199508D+00  0.107999D+01
      2  -0.150746D+01  0.225130D+00  0.199508D+00 -0.300114D+00  0.129024D+00
      3   0.225130D+00 -0.844813D+01  0.107999D+01  0.129024D+00 -0.924410D+00
                76            77            78            79            80 
      1   0.607662D+00 -0.225521D+00  0.135972D-01  0.205176D+01 -0.218981D+00
      2  -0.225521D+00 -0.769090D+00  0.948376D+00 -0.218981D+00  0.130929D+01
      3   0.135972D-01  0.948376D+00  0.180854D+00 -0.327888D+00 -0.117438D+01
                81            82            83            84            85 
      1  -0.327888D+00 -0.879845D+00 -0.755651D+00 -0.552306D+00 -0.147449D+01
      2  -0.117438D+01 -0.755651D+00 -0.474813D+00  0.281314D-01 -0.359045D-01
      3   0.876905D+01 -0.552306D+00  0.281314D-01 -0.798660D-01 -0.563607D-01
                86            87            88            89            90 
      1  -0.359045D-01 -0.563607D-01 -0.115301D+01  0.111198D+00 -0.208953D+00
      2  -0.800275D+01 -0.115645D+01  0.111198D+00 -0.187583D+01 -0.135475D+01
      3  -0.115645D+01 -0.123521D+01 -0.208953D+00 -0.135475D+01 -0.686446D-01
                91            92            93            94            95 
      1   0.230279D+01  0.190086D+01 -0.217718D+00  0.459097D+01  0.172293D+00
      2   0.190086D+01  0.431545D+00  0.891251D-01  0.172293D+00  0.480542D+01
      3  -0.217718D+00  0.891251D-01 -0.390872D+00 -0.120067D+00  0.864877D-01
                96            97            98            99           100 
      1  -0.120067D+00 -0.377112D+00 -0.110494D+00 -0.571662D+00  0.222324D+00
      2   0.864877D-01 -0.110494D+00 -0.145989D+00  0.599014D+00  0.770834D+00
      3   0.859532D+00 -0.571662D+00  0.599014D+00  0.530837D-01  0.698365D+00
               101           102           103           104           105 
      1   0.770834D+00  0.698365D+00  0.599323D+00  0.283700D+00  0.426478D+00
      2   0.492508D+00  0.659811D+00  0.283700D+00  0.112174D+01  0.705564D+00
      3   0.659811D+00  0.106106D+01  0.426478D+00  0.705564D+00  0.715978D+00
               106           107           108           109           110 
      1   0.167270D+01  0.527309D+00  0.157317D+01  0.321872D+01  0.263259D+01
      2   0.527309D+00  0.236388D+01  0.193556D+01  0.263259D+01  0.317765D+01
      3   0.157317D+01  0.193556D+01  0.625493D+01 -0.111274D+01 -0.913728D+00
               111           112           113           114           115 
      1  -0.111274D+01  0.284779D+01  0.221686D+01 -0.776364D+00 -0.225267D+01
      2  -0.913728D+00  0.221686D+01  0.335582D+01 -0.878910D+00 -0.128760D+01
      3   0.137732D+01 -0.776364D+00 -0.878910D+00  0.104349D+01  0.129447D+01
               116           117           118           119           120 
      1  -0.128760D+01  0.129447D+01  0.785834D+01 -0.238989D+01  0.917079D+00
      2  -0.201225D+01  0.131548D+01 -0.238989D+01  0.189954D+01 -0.428915D+00
      3   0.131548D+01 -0.139564D+01  0.917079D+00 -0.428915D+00  0.119024D+01
               121           122           123           124           125 
      1  -0.433007D+01  0.247847D+01 -0.513662D+00  0.219447D+01 -0.691901D+00
      2   0.247847D+01 -0.188437D+01  0.528634D+00 -0.691901D+00  0.666173D+00
      3  -0.513662D+00  0.528634D+00 -0.770085D+00  0.126858D+01 -0.458871D+00
               126 
      1   0.126858D+01
      2  -0.458871D+00
      3   0.388300D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126543D+01  0.334636D+00  0.239250D+01 -0.843731D+00  0.711494D+01
      2   0.246349D+01 -0.119681D+01 -0.150309D-01 -0.814134D-01  0.721457D+00
      3   0.328894D+01  0.105946D+01  0.208367D+00  0.645108D+01 -0.652176D+01
                 6             7             8             9            10 
      1  -0.102261D+01  0.164597D+01  0.278245D+01 -0.682426D+01 -0.140880D+01
      2  -0.822878D+00 -0.157818D+01  0.102779D+01 -0.577236D+01  0.121941D+01
      3  -0.205896D+01 -0.233587D+01 -0.268101D+01 -0.246224D+01  0.600543D+00
                11            12            13            14            15 
      1   0.709418D+00 -0.555763D+00  0.901450D+00  0.456202D+00 -0.302349D+00
      2  -0.495583D+00  0.308746D+01  0.210961D+01 -0.194952D+01  0.106592D+01
      3  -0.502576D+01  0.540144D+00 -0.598563D+00  0.892179D+00  0.639574D+00
                16            17            18            19            20 
      1  -0.115395D+01  0.458547D+01  0.134458D+00  0.809528D+00  0.799375D+00
      2  -0.289837D+01  0.293469D+00  0.865048D+00 -0.449965D+01 -0.143118D+00
      3  -0.889786D+00  0.132425D+01  0.575034D+00 -0.592187D+01  0.370165D+00
                21            22            23            24            25 
      1   0.248365D+00  0.180918D+01  0.690828D-01  0.915043D+01 -0.288738D+00
      2  -0.572330D+01 -0.823303D+00  0.146775D+01 -0.194591D+01 -0.183370D+02
      3  -0.154755D+00  0.215519D+00  0.957393D+01 -0.165057D+01  0.213564D+01
                26            27            28            29            30 
      1   0.988474D+01  0.514973D-01 -0.853031D+00 -0.620584D+00  0.285667D+01
      2  -0.143488D+01  0.324118D+01  0.307152D+00  0.294269D+00  0.777554D+01
      3  -0.222240D+01  0.102743D+01 -0.565170D+01 -0.150388D+02  0.271301D-01
                31            32            33            34            35 
      1  -0.237128D+00 -0.559309D+00 -0.392483D+01  0.732065D+00  0.208964D+01
      2   0.909558D+00 -0.278642D+00 -0.100995D+01  0.516157D+01 -0.999548D+00
      3  -0.111603D+02 -0.877705D+01  0.203458D+00  0.153381D+00  0.186496D+01
                36            37            38            39            40 
      1  -0.524392D+00 -0.539298D+00 -0.602695D+00 -0.167997D+01  0.983361D+00
      2  -0.208572D+01 -0.646603D+01  0.180617D+01  0.453387D+01  0.215958D+01
      3   0.170190D+01 -0.128634D+02 -0.325295D+01 -0.935729D+00  0.453155D+01
                41            42            43            44            45 
      1  -0.671872D+00 -0.167274D+01  0.922571D-01  0.307331D+01 -0.184398D+00
      2  -0.226629D+01  0.406887D+01 -0.393758D+01  0.177332D+01 -0.379954D+01
      3  -0.946596D+01  0.196545D+01 -0.856278D+00  0.380882D+01 -0.192216D+01
                46            47            48            49            50 
      1  -0.265443D+01 -0.112876D+01  0.475982D+01 -0.217067D+01 -0.380374D+01
      2   0.140704D-01  0.161648D+01  0.362840D+01  0.541486D+00  0.668920D+00
      3  -0.511520D+01 -0.112738D+02  0.176515D+01  0.186595D+01 -0.194574D+01
                51            52            53            54            55 
      1  -0.308860D+01  0.552986D+01  0.652782D+01  0.816237D+01  0.225915D+00
      2  -0.752729D+00 -0.338835D+01 -0.708294D+00  0.278297D+00  0.260257D+00
      3   0.859612D+00  0.341453D+01  0.103960D+01 -0.469811D+01 -0.326764D-01
                56            57            58            59            60 
      1   0.720464D-01 -0.290787D+01 -0.105399D+00  0.916435D+00 -0.108650D+02
      2   0.153791D+00  0.492828D+01 -0.953624D+00 -0.751112D+00  0.463677D+01
      3  -0.530290D+01 -0.181291D+00  0.974482D+01 -0.181802D+02  0.537787D+00
                61            62            63            64            65 
      1  -0.370850D+00  0.869482D+00  0.417118D+00  0.302082D+00 -0.751616D+00
      2   0.262508D+01  0.437222D+01 -0.120693D+01  0.765918D+00 -0.183275D+00
      3  -0.132548D+01  0.632383D+00 -0.443144D+01  0.322615D+00 -0.685627D+00
                66            67            68            69            70 
      1   0.112379D+00 -0.599785D+00 -0.607939D+00 -0.395952D+00  0.239031D+00
      2   0.735366D+00 -0.298392D+00  0.438588D+00 -0.517325D+00 -0.260915D+01
      3  -0.211266D+00  0.124463D+01 -0.244268D+00  0.218300D+00 -0.684882D-01
                71            72            73            74            75 
      1   0.296936D+01  0.104315D+01  0.102418D+01 -0.533221D+00 -0.436142D+00
      2  -0.901879D-01 -0.174319D+01  0.193696D+01  0.309155D+00 -0.444864D+00
      3   0.322726D+00  0.234280D+00  0.491618D+00 -0.796321D+00 -0.107291D+01
                76            77            78            79            80 
      1  -0.397149D+00  0.424314D+00 -0.460753D+00 -0.714383D+00  0.287188D+01
      2  -0.182087D+00  0.139400D+01 -0.571333D-01 -0.501856D+01 -0.103695D+01
      3   0.484744D+00  0.851426D+00 -0.922276D+00 -0.163634D+01 -0.109845D+01
                81            82            83            84            85 
      1   0.805109D+01 -0.997493D+00 -0.269986D-01 -0.391581D+00 -0.293974D+00
      2   0.914011D+01 -0.528799D+00  0.282160D+00  0.676250D+00 -0.324603D+00
      3   0.184392D+01  0.313139D+01  0.128614D+01  0.625804D+00  0.540862D+01
                86            87            88            89            90 
      1  -0.408438D+01 -0.434940D+01 -0.364995D+00 -0.132953D+01 -0.904764D+00
      2  -0.569466D+00 -0.912091D+00 -0.124880D+01 -0.107204D+01 -0.225536D+00
      3   0.938842D+01  0.167544D+01  0.197426D+01  0.203986D+01  0.177038D+01
                91            92            93            94            95 
      1   0.821792D+00  0.428162D+00  0.963748D+00  0.360787D+00  0.787579D+00
      2  -0.340050D+00 -0.504036D+00 -0.140430D+01 -0.333724D+00 -0.565645D+00
      3   0.823636D+01  0.913648D+01 -0.216081D+00  0.122662D+02  0.157082D+02
                96            97            98            99           100 
      1  -0.116398D+01  0.861362D+00  0.101072D+01  0.243368D+00 -0.114050D+01
      2  -0.212591D+01 -0.201693D+01 -0.176856D+01  0.759908D-01 -0.486264D+00
      3   0.325427D+00 -0.643093D+00 -0.952125D+00  0.300848D-01  0.501194D+00
               101           102           103           104           105 
      1  -0.681644D+00 -0.265742D+01 -0.476578D+00 -0.164824D+01 -0.213896D+01
      2   0.105641D+00  0.420254D+00  0.900364D-01 -0.140414D+00  0.345640D+00
      3   0.793441D+00  0.828980D+00  0.180387D+01  0.415219D+00  0.663840D+00
               106           107           108           109           110 
      1  -0.402325D+01 -0.165371D+01 -0.127570D+02  0.247587D+01  0.200820D+01
      2  -0.224349D+01  0.591003D+00  0.784237D+00  0.661863D+00 -0.299842D+00
      3   0.336955D+01  0.230181D-01  0.317313D+01  0.728190D+01  0.314858D+01
               111           112           113           114           115 
      1  -0.373834D+01  0.180537D+01  0.168646D+01 -0.242303D+01 -0.280059D+01
      2   0.115463D+01 -0.111633D+00 -0.358691D-01  0.915531D+00 -0.677166D+00
      3  -0.226983D+01  0.642058D+01  0.278176D+01 -0.143567D+01 -0.526676D+01
               116           117           118           119           120 
      1  -0.155064D+01  0.256878D+01  0.668755D+00 -0.632445D-02  0.103360D+01
      2   0.398195D+00 -0.780743D+00  0.436494D+01 -0.187476D+01  0.464894D+01
      3  -0.167723D+01  0.227327D+01  0.583525D+01 -0.686029D+01  0.117555D+01
               121           122           123           124           125 
      1  -0.409004D+00  0.502114D-01 -0.134374D+01  0.511252D+00  0.311197D+00
      2  -0.270148D+01  0.186624D+01 -0.288880D+01  0.288986D+01 -0.123889D+01
      3  -0.540154D+01  0.541716D+01 -0.134827D+01  0.197474D+01 -0.242441D+01
               126 
      1   0.393706D+00
      2   0.155602D+01
      3   0.884503D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.179027D+02 -0.974433D+00 -0.140019D+01 -0.850236D+01  0.124386D+02
      2   0.991773D+01 -0.219005D+01 -0.462746D+01  0.400445D+01 -0.175677D+02
      3   0.798493D+01  0.316448D+01  0.602765D+01  0.449791D+01  0.512912D+01
      4  -0.450786D+01  0.949993D+00 -0.213983D+01  0.739985D+01  0.604959D+01
      5   0.461545D+01 -0.226325D+01 -0.368723D+01  0.817065D+00  0.378698D+01
      6  -0.420367D+01  0.244644D+01 -0.316165D+01  0.114541D+01 -0.654608D+01
                 6             7             8             9            10 
      1   0.254330D+01  0.639624D+01  0.197133D+01  0.175043D+02 -0.178934D+01
      2  -0.607150D+01 -0.523184D+01 -0.446708D+01  0.246617D+01  0.467126D+01
      3   0.352820D+01 -0.116440D+01  0.249574D+01 -0.199705D+02 -0.288192D+01
      4   0.319688D+01 -0.551195D-01  0.534308D+01  0.802377D+00  0.898419D+00
      5  -0.146097D+01  0.397113D+01  0.216457D+01 -0.144346D+02 -0.847659D+00
      6   0.119812D+01 -0.140095D+01 -0.840793D+00  0.832920D+01  0.163327D+01
                11            12            13            14            15 
      1   0.225800D+01 -0.101400D+01  0.168529D+01  0.531311D+01  0.831489D+00
      2  -0.190674D+01  0.797472D-01 -0.249409D+00 -0.983162D+01 -0.135055D+01
      3  -0.351262D+00  0.934254D+00 -0.143588D+01  0.451851D+01  0.519058D+00
      4   0.265795D+01  0.758379D+00 -0.723162D+01  0.292150D+00 -0.120114D+01
      5   0.103866D+01  0.106931D+01 -0.546391D-01 -0.632591D+00  0.149939D+01
      6  -0.208171D+01  0.236154D+00 -0.261323D+01 -0.118142D+00 -0.388709D+01
                16            17            18            19            20 
      1  -0.569874D+01  0.140846D+01  0.583456D+01 -0.512566D+01  0.101371D+02
      2   0.637053D+00 -0.488550D+01  0.104276D+02  0.366388D+00 -0.107266D+02
      3   0.506169D+01  0.347703D+01 -0.162621D+02  0.475927D+01  0.589471D+00
      4  -0.216082D+01 -0.128494D+01  0.592004D+00  0.367949D+01 -0.124498D+02
      5  -0.137197D+01 -0.632780D+00  0.795293D+01 -0.391664D+00 -0.147609D+01
      6   0.123766D+00  0.127842D+01  0.122678D+01 -0.565686D+00 -0.356758D-01
                21            22            23            24            25 
      1  -0.100951D+01  0.401939D+00  0.618704D+01 -0.361776D+00  0.189246D+01
      2  -0.178160D+01 -0.456109D+01 -0.178893D+02  0.853066D+00 -0.207698D+01
      3   0.279111D+01  0.415915D+01  0.117023D+02 -0.491290D+00  0.184515D+00
      4  -0.874015D+00 -0.228671D+02 -0.232348D+02  0.423728D+00 -0.421447D+00
      5  -0.701123D+01 -0.185606D+01 -0.400071D+00 -0.176106D+01  0.201587D+01
      6   0.141685D+01 -0.506221D+00 -0.106859D+01 -0.141814D+02 -0.331881D+00
                26            27            28            29            30 
      1  -0.229629D+01 -0.536159D+01  0.429326D+02 -0.809944D+01 -0.490868D+00
      2   0.158653D+01 -0.679071D+01 -0.261994D+02  0.222002D+01  0.114201D+01
      3   0.709762D+00  0.121523D+02 -0.167332D+02  0.587942D+01 -0.651139D+00
      4   0.264883D+01 -0.227583D+01 -0.199627D+02  0.175726D+02  0.101417D+01
      5  -0.161035D+01  0.315658D+01 -0.169349D+01  0.437760D+00  0.145369D+02
      6   0.368722D+01 -0.114879D-01  0.678501D+00 -0.322843D+00 -0.479706D+01
                31            32            33            34            35 
      1   0.421777D+01  0.994741D+01 -0.721225D+00 -0.136798D+01  0.542493D+00
      2  -0.603101D+01 -0.337207D+01  0.113126D+00  0.181612D+01  0.171426D+00
      3   0.181324D+01 -0.657535D+01  0.608098D+00 -0.448142D+00 -0.713919D+00
      4   0.165798D+02 -0.438917D+01 -0.124190D+01  0.147429D+01 -0.140713D+01
      5  -0.646908D+00 -0.143086D+01 -0.361560D+01  0.136548D+02 -0.563269D+01
      6  -0.877740D+00  0.694630D+00  0.805493D+01 -0.199151D+01  0.521870D+01
                36            37            38            39            40 
      1   0.536855D+01  0.134338D+02  0.159416D+02 -0.682783D+01  0.322188D+02
      2  -0.768614D+01 -0.105511D+02 -0.691142D+01  0.662758D+01 -0.168546D+02
      3   0.231760D+01 -0.288267D+01 -0.903022D+01  0.200252D+00 -0.153642D+02
      4  -0.528389D+01  0.187627D+02  0.224506D+01  0.407594D+01 -0.384902D+01
      5  -0.386131D+01 -0.114562D+02  0.382561D+01  0.932728D+01  0.358603D+01
      6   0.114492D+01  0.232982D+01 -0.868431D+00  0.952467D+00 -0.100727D+01
                41            42            43            44            45 
      1  -0.615606D+01  0.302431D+01 -0.186560D+02  0.342676D+01 -0.531130D+00
      2   0.564875D+01  0.263550D+00  0.101632D+02 -0.133807D+01 -0.563923D+01
      3   0.507315D+00 -0.328786D+01  0.849285D+01 -0.208869D+01  0.617036D+01
      4   0.149659D+02 -0.567198D+01  0.641309D+01 -0.703399D+01  0.263075D+01
      5  -0.495079D+01  0.607287D+01  0.870935D+01  0.337817D+01 -0.762081D+01
      6   0.143203D+01  0.321917D+01 -0.522888D+00  0.307688D+01  0.100357D+01
                46            47            48            49            50 
      1   0.127876D+02 -0.363899D+00  0.154039D+01  0.185296D+01 -0.183111D+02
      2  -0.126521D+02 -0.342917D+01  0.180161D+01 -0.570655D+01  0.285704D+02
      3  -0.135503D+00  0.379307D+01 -0.334199D+01  0.385359D+01 -0.102593D+02
      4  -0.889681D+01 -0.568394D+01  0.349981D+01  0.423890D+00 -0.524189D+01
      5   0.198113D+01  0.143792D+01  0.984354D+00  0.897273D+00  0.674223D+00
      6   0.499872D+01  0.284036D+01 -0.816523D+01  0.323314D+01  0.517313D+01
                51            52            53            54            55 
      1  -0.109379D+01 -0.169518D+00  0.265844D-01  0.619834D+00  0.104957D+02
      2   0.420521D+01  0.304232D+01  0.518953D+01  0.850083D+00 -0.127411D+01
      3  -0.311142D+01 -0.287281D+01 -0.521611D+01 -0.146992D+01 -0.922160D+01
      4   0.187428D+01  0.472048D+01  0.239840D+01 -0.859413D+01  0.173660D+02
      5  -0.217900D+01  0.113089D+01 -0.329091D+01 -0.403589D+01  0.925811D+00
      6   0.337941D+01 -0.971407D+01 -0.420565D+00 -0.129375D+02  0.568755D+00
                56            57            58            59            60 
      1   0.499935D+01 -0.380907D+00  0.824829D+01 -0.214241D+02 -0.117007D+00
      2   0.339369D+01  0.537523D+00  0.291366D+01  0.420566D+02 -0.347282D+00
      3  -0.839304D+01 -0.156616D+00 -0.111619D+02 -0.206325D+02  0.464289D+00
      4   0.222437D+02  0.609872D+00  0.251939D+02  0.465017D+02  0.694413D+00
      5   0.891020D+00  0.752629D+01  0.110305D+01  0.143116D+01  0.915361D+01
      6   0.688664D+00  0.403490D+01  0.995829D+00  0.828768D+00  0.174285D+02
                61            62            63            64            65 
      1  -0.268190D-01  0.352507D+00 -0.351722D+01  0.114294D+01 -0.194674D+00
      2   0.687126D+00 -0.882600D+00  0.279758D+01 -0.379696D+01  0.813526D-01
      3  -0.660307D+00  0.530092D+00  0.719632D+00  0.265403D+01  0.113321D+00
      4  -0.178504D+00 -0.815835D+00  0.109787D+02 -0.508957D+00  0.141395D+01
      5   0.882674D+01  0.110963D+02 -0.491031D+00 -0.163211D+01 -0.382008D+00
      6   0.381284D+01  0.139428D+02 -0.196961D+00 -0.534305D+00  0.433413D+00
                66            67            68            69            70 
      1   0.284304D-01 -0.209704D-01 -0.395371D+01 -0.251584D-02  0.900987D+00
      2   0.143930D+01  0.754763D+00  0.627299D+00 -0.816835D+00  0.248558D+01
      3  -0.146774D+01 -0.733793D+00  0.332641D+01  0.819351D+00 -0.338656D+01
      4  -0.541925D+00  0.268917D+01 -0.225637D+00 -0.470702D+00  0.882184D+00
      5   0.638485D+01  0.184977D+00 -0.782094D+00 -0.818492D+00  0.525202D+01
      6   0.272507D+00 -0.674896D-01  0.193202D+00  0.653725D+01  0.224401D+00
                71            72            73            74            75 
      1   0.146393D+01 -0.168290D+02 -0.760738D+00  0.376770D+00  0.495404D+01
      2  -0.512254D+00 -0.157309D+02 -0.252057D+01 -0.174327D+00 -0.897364D+00
      3  -0.951677D+00  0.325599D+02  0.328130D+01 -0.202442D+00 -0.405667D+01
      4  -0.503060D+00 -0.285858D+00  0.654780D+00  0.917384D+00 -0.135882D+01
      5   0.398822D+00 -0.717336D+01  0.156545D+01 -0.255061D+00  0.421100D+01
      6   0.436004D+01 -0.290144D+01 -0.122205D+01 -0.937223D+00  0.760285D+00
                76            77            78            79            80 
      1   0.134918D+01 -0.522616D+01  0.119660D+01  0.692846D+01  0.285339D+01
      2  -0.725541D+00  0.282872D+01 -0.110748D+01 -0.225870D+01 -0.421833D+00
      3  -0.623635D+00  0.239744D+01 -0.891247D-01 -0.466976D+01 -0.243156D+01
      4   0.184883D+00 -0.123459D+01  0.225101D+01 -0.282352D+01  0.249784D+01
      5  -0.741175D-01  0.199230D+01  0.457817D+00  0.429361D+01 -0.316233D+01
      6  -0.714686D-01 -0.123097D+01  0.572728D+01  0.218003D+00  0.680576D+01
                81            82            83            84            85 
      1  -0.221754D+02 -0.101153D+01 -0.355055D+01 -0.167304D+01 -0.480120D+01
      2  -0.108759D+02  0.317686D+01  0.278885D+01  0.115838D+01  0.316551D+01
      3   0.330513D+02 -0.216534D+01  0.761699D+00  0.514663D+00  0.163569D+01
      4  -0.147441D+01 -0.863566D+00  0.346465D+01  0.118653D+01  0.511928D+01
      5   0.183116D+02 -0.990449D+00  0.424107D+00  0.114431D+01 -0.610226D-01
      6  -0.129961D+02  0.143049D+01  0.166523D+00  0.343974D+00  0.293623D+00
                86            87            88            89            90 
      1  -0.185370D+02 -0.233386D+01 -0.305072D+01 -0.380598D+01 -0.589141D+01
      2   0.313056D+02  0.478954D+01  0.220833D+01  0.570466D+01  0.311913D+01
      3  -0.127686D+02 -0.245568D+01  0.842394D+00 -0.189868D+01  0.277228D+01
      4  -0.172510D+02 -0.207882D+01  0.148309D+01 -0.435233D+01 -0.257174D+01
      5  -0.256102D+01 -0.237181D+01  0.458085D+00 -0.318595D+01 -0.498591D+00
      6   0.359476D+01  0.550797D+01  0.292704D+00  0.644731D+01  0.238970D+01
                91            92            93            94            95 
      1  -0.118007D+02 -0.218491D+01  0.174018D+00 -0.126759D+02 -0.667258D+01
      2   0.100431D+02 -0.586920D+00  0.435903D-01  0.693956D+01  0.106910D+02
      3   0.175766D+01  0.277183D+01 -0.217608D+00  0.573632D+01 -0.401840D+01
      4  -0.783440D+00 -0.156926D+00 -0.486619D+00  0.714447D+01 -0.162943D+02
      5   0.929399D+00  0.493459D+00 -0.175780D+01  0.113824D+01  0.365314D+00
      6  -0.384394D+00 -0.332121D-01 -0.200398D+01 -0.351572D-01  0.347718D+00
                96            97            98            99           100 
      1   0.310063D+00  0.114942D+01  0.259910D+00 -0.114191D+01 -0.799156D+00
      2  -0.265794D+00 -0.792477D+00 -0.384908D+00  0.303855D+00  0.803756D+00
      3  -0.442688D-01 -0.356943D+00  0.124999D+00  0.838059D+00 -0.460026D-02
      4  -0.308970D+00 -0.398510D+00  0.125505D+00 -0.240404D+01  0.199657D+01
      5  -0.384508D+01  0.219927D+01 -0.228971D+01  0.924487D-01  0.224126D+01
      6   0.170831D+01 -0.138796D+01  0.273358D+01 -0.119486D+00  0.220317D+01
               101           102           103           104           105 
      1  -0.787947D+00 -0.808237D+00 -0.436496D-01 -0.320623D+01 -0.153025D+01
      2   0.135910D+01  0.305559D+00  0.412990D+00  0.372570D+01  0.213611D+01
      3  -0.571157D+00  0.502678D+00 -0.369341D+00 -0.519466D+00 -0.605862D+00
      4   0.404815D+01  0.247935D+01  0.370227D+01  0.218222D+01  0.230979D+01
      5   0.136236D+01  0.389247D+01  0.695890D+00  0.152020D+01  0.136879D+01
      6   0.286386D+01  0.481120D+01  0.232350D+01  0.292319D+01  0.607025D+01
               106           107           108           109           110 
      1  -0.866965D-01 -0.550745D+01 -0.901625D+01  0.984580D+00 -0.328420D+01
      2  -0.123172D+01  0.428284D+01 -0.358773D+01  0.567043D+01  0.101258D+02
      3   0.131842D+01  0.122461D+01  0.126040D+02 -0.665501D+01 -0.684156D+01
      4   0.493785D+01  0.439397D+01  0.583643D+01  0.134543D+02  0.142343D+02
      5   0.422365D+01  0.296276D+01  0.773394D+01 -0.364146D+01 -0.282529D+01
      6   0.615015D+01  0.905284D+01  0.219755D+02 -0.602347D+01 -0.565471D+01
               111           112           113           114           115 
      1   0.613496D-01 -0.179759D+01 -0.517858D+01  0.122346D+01  0.103084D+01
      2  -0.264748D+01  0.713871D+01  0.125273D+02 -0.369057D+01 -0.292740D+01
      3   0.258613D+01 -0.534112D+01 -0.734869D+01  0.246711D+01  0.189656D+01
      4  -0.527812D+01  0.125863D+02  0.111326D+02 -0.409756D+01 -0.762763D+01
      5   0.406398D+01 -0.128212D+01 -0.257131D+01  0.168951D+01  0.401225D+01
      6   0.628247D+01 -0.452984D+01 -0.553328D+01  0.522213D+01  0.629547D+01
               116           117           118           119           120 
      1   0.307538D+01 -0.242407D+01  0.461452D+02 -0.145547D+02  0.597414D+01
      2  -0.539352D+01  0.207292D+01 -0.220215D+02  0.609735D+01 -0.274528D+01
      3   0.231813D+01  0.351153D+00 -0.241237D+02  0.845732D+01 -0.322886D+01
      4  -0.644333D+01  0.584338D+01 -0.215003D+02  0.134228D+02 -0.320490D+01
      5   0.314218D+01 -0.330935D+01  0.774037D+01 -0.296938D+01  0.731801D+01
      6   0.750557D+01 -0.622534D+01 -0.909147D+00  0.494547D+00 -0.982879D+00
               121           122           123           124           125 
      1  -0.219916D+02  0.115261D+02 -0.279533D+01  0.111942D+02 -0.359757D+01
      2   0.851665D+01 -0.281394D+01  0.942465D+00 -0.608447D+01  0.152423D+01
      3   0.134750D+02 -0.871214D+01  0.185287D+01 -0.510973D+01  0.207334D+01
      4   0.194734D+02 -0.134642D+02  0.366679D+01 -0.624543D+01  0.443300D+01
      5  -0.444767D+01  0.355857D+01 -0.418998D+01  0.917380D+01 -0.354951D+01
      6   0.106274D+01 -0.950551D+00  0.201764D+01 -0.197947D+01  0.203219D+01
               126 
      1   0.555910D+01
      2  -0.372840D+01
      3  -0.183070D+01
      4  -0.379373D+01
      5   0.352322D+01
      6  -0.941528D+00
 Leave Link  716 at Thu Aug 12 22:13:41 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.665495D+02 -0.211410D+00 -0.654174D+00
      2  -0.211410D+00  0.648799D+02 -0.260190D+00
      3  -0.654174D+00 -0.260190D+00  0.480025D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.692046D+00 -0.177595D+01 -0.148650D+01
      2   0.239643D+01 -0.919997D+00  0.111923D+02
      3   0.594947D+01  0.514610D+01  0.205569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.304566D+02 -0.452202D+01 -0.134077D+01
      2  -0.200973D+02  0.288276D+01 -0.217109D+01
      3  -0.103593D+02  0.163926D+01  0.351186D+01
      4   0.855766D+00 -0.851041D+01 -0.349276D+01
      5   0.336843D+01 -0.553337D+01  0.250910D+02
      6  -0.187874D+01  0.238148D+01  0.641473D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.973146D+00 -0.228988D+01  0.109696D+01 -0.305055D+01  0.127605D+01
      2  -0.228988D+01  0.252645D+01 -0.386037D+00  0.127605D+01  0.421621D+01
      3   0.109696D+01 -0.386037D+00  0.141440D+01 -0.311508D-01  0.173875D+01
                 6             7             8             9            10 
      1  -0.311508D-01  0.184615D+01 -0.318095D+00  0.124177D+01  0.118575D+01
      2   0.173875D+01 -0.318095D+00  0.213805D+01  0.852622D+00  0.309375D+01
      3   0.457696D+00  0.124177D+01  0.852622D+00 -0.787956D+01 -0.677104D+00
                11            12            13            14            15 
      1   0.309375D+01 -0.677104D+00  0.239485D+01 -0.310322D+00  0.303871D-01
      2  -0.231018D+01  0.596751D+00 -0.310322D+00 -0.361905D+01 -0.894812D+00
      3   0.596751D+00 -0.591103D+00  0.303871D-01 -0.894812D+00  0.413999D+00
                16            17            18            19            20 
      1  -0.521732D+00  0.110236D+01 -0.749997D+00 -0.220824D+01 -0.180123D+01
      2   0.110236D+01 -0.150543D+01 -0.101954D+00 -0.180123D+01  0.178593D+01
      3  -0.749997D+00 -0.101954D+00  0.702700D+01 -0.118727D+00  0.697789D-02
                21            22            23            24            25 
      1  -0.118727D+00 -0.356497D+00  0.255011D+01  0.117606D+00  0.369308D-01
      2   0.697789D-02  0.255011D+01  0.627087D+01 -0.596447D-01  0.171931D+00
      3  -0.395256D+00  0.117606D+00 -0.596447D-01  0.474817D+00 -0.191926D+00
                26            27            28            29            30 
      1   0.171931D+00 -0.191926D+00 -0.792449D+01  0.163701D+01  0.388423D+00
      2   0.401461D+00  0.360496D+00  0.163701D+01 -0.271266D+01 -0.198011D+00
      3   0.360496D+00 -0.460068D+00  0.388423D+00 -0.198011D+00 -0.987331D+00
                31            32            33            34            35 
      1  -0.175945D+01 -0.374951D+01 -0.815595D-01  0.949991D+00 -0.175875D+00
      2  -0.374951D+01 -0.748356D+00  0.184036D+00 -0.175875D+00  0.156749D+00
      3  -0.815595D-01  0.184036D+00  0.586020D+00 -0.172380D+01  0.118732D+01
                36            37            38            39            40 
      1  -0.172380D+01  0.154914D+01  0.288790D+01 -0.158547D+01  0.609918D+01
      2   0.118732D+01  0.288790D+01 -0.103829D+01  0.583253D+00 -0.707831D+00
      3   0.707005D+00 -0.158547D+01  0.583253D+00 -0.502317D+00  0.556374D+00
                41            42            43            44            45 
      1  -0.707831D+00  0.556374D+00 -0.366377D+01  0.724232D+00  0.776904D+00
      2   0.241564D+01 -0.101943D+01  0.724232D+00 -0.105054D+01  0.478325D+00
      3  -0.101943D+01  0.612649D+00  0.776904D+00  0.478325D+00 -0.735635D+00
                46            47            48            49            50 
      1  -0.230052D+01 -0.215129D+01  0.110346D+01 -0.119285D+01 -0.154706D+01
      2  -0.215129D+01 -0.116596D+01  0.111329D+00 -0.154706D+01  0.526373D+01
      3   0.110346D+01  0.111329D+00 -0.187315D+01  0.365401D+00  0.787213D+00
                51            52            53            54            55 
      1   0.365401D+00  0.134100D+01  0.354623D+00 -0.204638D+01 -0.206600D+01
      2   0.787213D+00  0.354623D+00  0.882816D+00 -0.703037D+00 -0.322954D+01
      3  -0.615673D+00 -0.204638D+01 -0.703037D+00 -0.433245D+01 -0.343903D-02
                56            57            58            59            60 
      1  -0.322954D+01 -0.343903D-02 -0.415975D+01 -0.276842D+01  0.121079D-02
      2  -0.281601D+01 -0.183230D+00 -0.276842D+01 -0.130745D+02  0.430710D-01
      3  -0.183230D+00 -0.303768D+00  0.121079D-02  0.430710D-01 -0.245008D+01
                61            62            63            64            65 
      1  -0.135644D+00  0.554861D-02 -0.104593D+01  0.472934D+00 -0.504974D+00
      2   0.554861D-02  0.179076D+00 -0.316095D+01 -0.504974D+00  0.504398D+00
      3  -0.104593D+01 -0.316095D+01  0.120764D+00 -0.101678D+01 -0.944808D-01
                66            67            68            69            70 
      1  -0.101678D+01 -0.816129D+00  0.367082D+00  0.681088D-01 -0.198906D+01
      2  -0.944808D-01  0.367082D+00  0.648726D+00 -0.101288D+01 -0.194258D+00
      3   0.100506D+01  0.681088D-01 -0.101288D+01 -0.273985D+00  0.711650D+00
                71            72            73            74            75 
      1  -0.194258D+00  0.711650D+00 -0.457758D+00  0.199508D+00  0.107999D+01
      2  -0.150746D+01  0.225130D+00  0.199508D+00 -0.300114D+00  0.129024D+00
      3   0.225130D+00 -0.844813D+01  0.107999D+01  0.129024D+00 -0.924410D+00
                76            77            78            79            80 
      1   0.607662D+00 -0.225521D+00  0.135972D-01  0.205176D+01 -0.218981D+00
      2  -0.225521D+00 -0.769090D+00  0.948376D+00 -0.218981D+00  0.130929D+01
      3   0.135972D-01  0.948376D+00  0.180854D+00 -0.327888D+00 -0.117438D+01
                81            82            83            84            85 
      1  -0.327888D+00 -0.879845D+00 -0.755651D+00 -0.552306D+00 -0.147449D+01
      2  -0.117438D+01 -0.755651D+00 -0.474813D+00  0.281314D-01 -0.359045D-01
      3   0.876905D+01 -0.552306D+00  0.281314D-01 -0.798660D-01 -0.563607D-01
                86            87            88            89            90 
      1  -0.359045D-01 -0.563607D-01 -0.115301D+01  0.111198D+00 -0.208953D+00
      2  -0.800275D+01 -0.115645D+01  0.111198D+00 -0.187583D+01 -0.135475D+01
      3  -0.115645D+01 -0.123521D+01 -0.208953D+00 -0.135475D+01 -0.686446D-01
                91            92            93            94            95 
      1   0.230279D+01  0.190086D+01 -0.217718D+00  0.459097D+01  0.172293D+00
      2   0.190086D+01  0.431545D+00  0.891251D-01  0.172293D+00  0.480542D+01
      3  -0.217718D+00  0.891251D-01 -0.390872D+00 -0.120067D+00  0.864877D-01
                96            97            98            99           100 
      1  -0.120067D+00 -0.377112D+00 -0.110494D+00 -0.571662D+00  0.222324D+00
      2   0.864877D-01 -0.110494D+00 -0.145989D+00  0.599014D+00  0.770834D+00
      3   0.859532D+00 -0.571662D+00  0.599014D+00  0.530837D-01  0.698365D+00
               101           102           103           104           105 
      1   0.770834D+00  0.698365D+00  0.599323D+00  0.283700D+00  0.426478D+00
      2   0.492508D+00  0.659811D+00  0.283700D+00  0.112174D+01  0.705564D+00
      3   0.659811D+00  0.106106D+01  0.426478D+00  0.705564D+00  0.715978D+00
               106           107           108           109           110 
      1   0.167270D+01  0.527309D+00  0.157317D+01  0.321872D+01  0.263259D+01
      2   0.527309D+00  0.236388D+01  0.193556D+01  0.263259D+01  0.317765D+01
      3   0.157317D+01  0.193556D+01  0.625493D+01 -0.111274D+01 -0.913728D+00
               111           112           113           114           115 
      1  -0.111274D+01  0.284779D+01  0.221686D+01 -0.776364D+00 -0.225267D+01
      2  -0.913728D+00  0.221686D+01  0.335582D+01 -0.878910D+00 -0.128760D+01
      3   0.137732D+01 -0.776364D+00 -0.878910D+00  0.104349D+01  0.129447D+01
               116           117           118           119           120 
      1  -0.128760D+01  0.129447D+01  0.785834D+01 -0.238989D+01  0.917079D+00
      2  -0.201225D+01  0.131548D+01 -0.238989D+01  0.189954D+01 -0.428915D+00
      3   0.131548D+01 -0.139564D+01  0.917079D+00 -0.428915D+00  0.119024D+01
               121           122           123           124           125 
      1  -0.433007D+01  0.247847D+01 -0.513662D+00  0.219447D+01 -0.691901D+00
      2   0.247847D+01 -0.188437D+01  0.528634D+00 -0.691901D+00  0.666173D+00
      3  -0.513662D+00  0.528634D+00 -0.770085D+00  0.126858D+01 -0.458871D+00
               126 
      1   0.126858D+01
      2  -0.458871D+00
      3   0.388300D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126543D+01  0.334636D+00  0.239250D+01 -0.843731D+00  0.711494D+01
      2   0.246349D+01 -0.119681D+01 -0.150309D-01 -0.814134D-01  0.721457D+00
      3   0.328894D+01  0.105946D+01  0.208367D+00  0.645108D+01 -0.652176D+01
                 6             7             8             9            10 
      1  -0.102261D+01  0.164597D+01  0.278245D+01 -0.682426D+01 -0.140880D+01
      2  -0.822878D+00 -0.157818D+01  0.102779D+01 -0.577236D+01  0.121941D+01
      3  -0.205896D+01 -0.233587D+01 -0.268101D+01 -0.246224D+01  0.600543D+00
                11            12            13            14            15 
      1   0.709418D+00 -0.555763D+00  0.901450D+00  0.456202D+00 -0.302349D+00
      2  -0.495583D+00  0.308746D+01  0.210961D+01 -0.194952D+01  0.106592D+01
      3  -0.502576D+01  0.540144D+00 -0.598563D+00  0.892179D+00  0.639574D+00
                16            17            18            19            20 
      1  -0.115395D+01  0.458547D+01  0.134458D+00  0.809528D+00  0.799375D+00
      2  -0.289837D+01  0.293469D+00  0.865048D+00 -0.449965D+01 -0.143118D+00
      3  -0.889786D+00  0.132425D+01  0.575034D+00 -0.592187D+01  0.370165D+00
                21            22            23            24            25 
      1   0.248365D+00  0.180918D+01  0.690828D-01  0.915043D+01 -0.288738D+00
      2  -0.572330D+01 -0.823303D+00  0.146775D+01 -0.194591D+01 -0.183370D+02
      3  -0.154755D+00  0.215519D+00  0.957393D+01 -0.165057D+01  0.213564D+01
                26            27            28            29            30 
      1   0.988474D+01  0.514973D-01 -0.853031D+00 -0.620584D+00  0.285667D+01
      2  -0.143488D+01  0.324118D+01  0.307152D+00  0.294269D+00  0.777554D+01
      3  -0.222240D+01  0.102743D+01 -0.565170D+01 -0.150388D+02  0.271301D-01
                31            32            33            34            35 
      1  -0.237128D+00 -0.559309D+00 -0.392483D+01  0.732065D+00  0.208964D+01
      2   0.909558D+00 -0.278642D+00 -0.100995D+01  0.516157D+01 -0.999548D+00
      3  -0.111603D+02 -0.877705D+01  0.203458D+00  0.153381D+00  0.186496D+01
                36            37            38            39            40 
      1  -0.524392D+00 -0.539298D+00 -0.602695D+00 -0.167997D+01  0.983361D+00
      2  -0.208572D+01 -0.646603D+01  0.180617D+01  0.453387D+01  0.215958D+01
      3   0.170190D+01 -0.128634D+02 -0.325295D+01 -0.935729D+00  0.453155D+01
                41            42            43            44            45 
      1  -0.671872D+00 -0.167274D+01  0.922571D-01  0.307331D+01 -0.184398D+00
      2  -0.226629D+01  0.406887D+01 -0.393758D+01  0.177332D+01 -0.379954D+01
      3  -0.946596D+01  0.196545D+01 -0.856278D+00  0.380882D+01 -0.192216D+01
                46            47            48            49            50 
      1  -0.265443D+01 -0.112876D+01  0.475982D+01 -0.217067D+01 -0.380374D+01
      2   0.140704D-01  0.161648D+01  0.362840D+01  0.541486D+00  0.668920D+00
      3  -0.511520D+01 -0.112738D+02  0.176515D+01  0.186595D+01 -0.194574D+01
                51            52            53            54            55 
      1  -0.308860D+01  0.552986D+01  0.652782D+01  0.816237D+01  0.225915D+00
      2  -0.752729D+00 -0.338835D+01 -0.708294D+00  0.278297D+00  0.260257D+00
      3   0.859612D+00  0.341453D+01  0.103960D+01 -0.469811D+01 -0.326764D-01
                56            57            58            59            60 
      1   0.720464D-01 -0.290787D+01 -0.105399D+00  0.916435D+00 -0.108650D+02
      2   0.153791D+00  0.492828D+01 -0.953624D+00 -0.751112D+00  0.463677D+01
      3  -0.530290D+01 -0.181291D+00  0.974482D+01 -0.181802D+02  0.537787D+00
                61            62            63            64            65 
      1  -0.370850D+00  0.869482D+00  0.417118D+00  0.302082D+00 -0.751616D+00
      2   0.262508D+01  0.437222D+01 -0.120693D+01  0.765918D+00 -0.183275D+00
      3  -0.132548D+01  0.632383D+00 -0.443144D+01  0.322615D+00 -0.685627D+00
                66            67            68            69            70 
      1   0.112379D+00 -0.599785D+00 -0.607939D+00 -0.395952D+00  0.239031D+00
      2   0.735366D+00 -0.298392D+00  0.438588D+00 -0.517325D+00 -0.260915D+01
      3  -0.211266D+00  0.124463D+01 -0.244268D+00  0.218300D+00 -0.684882D-01
                71            72            73            74            75 
      1   0.296936D+01  0.104315D+01  0.102418D+01 -0.533221D+00 -0.436142D+00
      2  -0.901879D-01 -0.174319D+01  0.193696D+01  0.309155D+00 -0.444864D+00
      3   0.322726D+00  0.234280D+00  0.491618D+00 -0.796321D+00 -0.107291D+01
                76            77            78            79            80 
      1  -0.397149D+00  0.424314D+00 -0.460753D+00 -0.714383D+00  0.287188D+01
      2  -0.182087D+00  0.139400D+01 -0.571333D-01 -0.501856D+01 -0.103695D+01
      3   0.484744D+00  0.851426D+00 -0.922276D+00 -0.163634D+01 -0.109845D+01
                81            82            83            84            85 
      1   0.805109D+01 -0.997493D+00 -0.269986D-01 -0.391581D+00 -0.293974D+00
      2   0.914011D+01 -0.528799D+00  0.282160D+00  0.676250D+00 -0.324603D+00
      3   0.184392D+01  0.313139D+01  0.128614D+01  0.625804D+00  0.540862D+01
                86            87            88            89            90 
      1  -0.408438D+01 -0.434940D+01 -0.364995D+00 -0.132953D+01 -0.904764D+00
      2  -0.569466D+00 -0.912091D+00 -0.124880D+01 -0.107204D+01 -0.225536D+00
      3   0.938842D+01  0.167544D+01  0.197426D+01  0.203986D+01  0.177038D+01
                91            92            93            94            95 
      1   0.821792D+00  0.428162D+00  0.963748D+00  0.360787D+00  0.787579D+00
      2  -0.340050D+00 -0.504036D+00 -0.140430D+01 -0.333724D+00 -0.565645D+00
      3   0.823636D+01  0.913648D+01 -0.216081D+00  0.122662D+02  0.157082D+02
                96            97            98            99           100 
      1  -0.116398D+01  0.861362D+00  0.101072D+01  0.243368D+00 -0.114050D+01
      2  -0.212591D+01 -0.201693D+01 -0.176856D+01  0.759908D-01 -0.486264D+00
      3   0.325427D+00 -0.643093D+00 -0.952125D+00  0.300848D-01  0.501194D+00
               101           102           103           104           105 
      1  -0.681644D+00 -0.265742D+01 -0.476578D+00 -0.164824D+01 -0.213896D+01
      2   0.105641D+00  0.420254D+00  0.900364D-01 -0.140414D+00  0.345640D+00
      3   0.793441D+00  0.828980D+00  0.180387D+01  0.415219D+00  0.663840D+00
               106           107           108           109           110 
      1  -0.402325D+01 -0.165371D+01 -0.127570D+02  0.247587D+01  0.200820D+01
      2  -0.224349D+01  0.591003D+00  0.784237D+00  0.661863D+00 -0.299842D+00
      3   0.336955D+01  0.230181D-01  0.317313D+01  0.728190D+01  0.314858D+01
               111           112           113           114           115 
      1  -0.373834D+01  0.180537D+01  0.168646D+01 -0.242303D+01 -0.280059D+01
      2   0.115463D+01 -0.111633D+00 -0.358691D-01  0.915531D+00 -0.677166D+00
      3  -0.226983D+01  0.642058D+01  0.278176D+01 -0.143567D+01 -0.526676D+01
               116           117           118           119           120 
      1  -0.155064D+01  0.256878D+01  0.668755D+00 -0.632445D-02  0.103360D+01
      2   0.398195D+00 -0.780743D+00  0.436494D+01 -0.187476D+01  0.464894D+01
      3  -0.167723D+01  0.227327D+01  0.583525D+01 -0.686029D+01  0.117555D+01
               121           122           123           124           125 
      1  -0.409004D+00  0.502114D-01 -0.134374D+01  0.511252D+00  0.311197D+00
      2  -0.270148D+01  0.186624D+01 -0.288880D+01  0.288986D+01 -0.123889D+01
      3  -0.540154D+01  0.541716D+01 -0.134827D+01  0.197474D+01 -0.242441D+01
               126 
      1   0.393706D+00
      2   0.155602D+01
      3   0.884503D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.179027D+02 -0.974433D+00 -0.140019D+01 -0.850236D+01  0.124386D+02
      2   0.991773D+01 -0.219005D+01 -0.462746D+01  0.400445D+01 -0.175677D+02
      3   0.798493D+01  0.316448D+01  0.602765D+01  0.449791D+01  0.512912D+01
      4  -0.450786D+01  0.949993D+00 -0.213983D+01  0.739985D+01  0.604959D+01
      5   0.461545D+01 -0.226325D+01 -0.368723D+01  0.817065D+00  0.378698D+01
      6  -0.420367D+01  0.244644D+01 -0.316165D+01  0.114541D+01 -0.654608D+01
                 6             7             8             9            10 
      1   0.254330D+01  0.639624D+01  0.197133D+01  0.175043D+02 -0.178934D+01
      2  -0.607150D+01 -0.523184D+01 -0.446708D+01  0.246617D+01  0.467126D+01
      3   0.352820D+01 -0.116440D+01  0.249574D+01 -0.199705D+02 -0.288192D+01
      4   0.319688D+01 -0.551195D-01  0.534308D+01  0.802377D+00  0.898419D+00
      5  -0.146097D+01  0.397113D+01  0.216457D+01 -0.144346D+02 -0.847659D+00
      6   0.119812D+01 -0.140095D+01 -0.840793D+00  0.832920D+01  0.163327D+01
                11            12            13            14            15 
      1   0.225800D+01 -0.101400D+01  0.168529D+01  0.531311D+01  0.831489D+00
      2  -0.190674D+01  0.797472D-01 -0.249409D+00 -0.983162D+01 -0.135055D+01
      3  -0.351262D+00  0.934254D+00 -0.143588D+01  0.451851D+01  0.519058D+00
      4   0.265795D+01  0.758379D+00 -0.723162D+01  0.292150D+00 -0.120114D+01
      5   0.103866D+01  0.106931D+01 -0.546391D-01 -0.632591D+00  0.149939D+01
      6  -0.208171D+01  0.236154D+00 -0.261323D+01 -0.118142D+00 -0.388709D+01
                16            17            18            19            20 
      1  -0.569874D+01  0.140846D+01  0.583456D+01 -0.512566D+01  0.101371D+02
      2   0.637053D+00 -0.488550D+01  0.104276D+02  0.366388D+00 -0.107266D+02
      3   0.506169D+01  0.347703D+01 -0.162621D+02  0.475927D+01  0.589471D+00
      4  -0.216082D+01 -0.128494D+01  0.592004D+00  0.367949D+01 -0.124498D+02
      5  -0.137197D+01 -0.632780D+00  0.795293D+01 -0.391664D+00 -0.147609D+01
      6   0.123766D+00  0.127842D+01  0.122678D+01 -0.565686D+00 -0.356758D-01
                21            22            23            24            25 
      1  -0.100951D+01  0.401939D+00  0.618704D+01 -0.361776D+00  0.189246D+01
      2  -0.178160D+01 -0.456109D+01 -0.178893D+02  0.853066D+00 -0.207698D+01
      3   0.279111D+01  0.415915D+01  0.117023D+02 -0.491290D+00  0.184515D+00
      4  -0.874015D+00 -0.228671D+02 -0.232348D+02  0.423728D+00 -0.421447D+00
      5  -0.701123D+01 -0.185606D+01 -0.400071D+00 -0.176106D+01  0.201587D+01
      6   0.141685D+01 -0.506221D+00 -0.106859D+01 -0.141814D+02 -0.331881D+00
                26            27            28            29            30 
      1  -0.229629D+01 -0.536159D+01  0.429326D+02 -0.809944D+01 -0.490868D+00
      2   0.158653D+01 -0.679071D+01 -0.261994D+02  0.222002D+01  0.114201D+01
      3   0.709762D+00  0.121523D+02 -0.167332D+02  0.587942D+01 -0.651139D+00
      4   0.264883D+01 -0.227583D+01 -0.199627D+02  0.175726D+02  0.101417D+01
      5  -0.161035D+01  0.315658D+01 -0.169349D+01  0.437760D+00  0.145369D+02
      6   0.368722D+01 -0.114879D-01  0.678501D+00 -0.322843D+00 -0.479706D+01
                31            32            33            34            35 
      1   0.421777D+01  0.994741D+01 -0.721225D+00 -0.136798D+01  0.542493D+00
      2  -0.603101D+01 -0.337207D+01  0.113126D+00  0.181612D+01  0.171426D+00
      3   0.181324D+01 -0.657535D+01  0.608098D+00 -0.448142D+00 -0.713919D+00
      4   0.165798D+02 -0.438917D+01 -0.124190D+01  0.147429D+01 -0.140713D+01
      5  -0.646908D+00 -0.143086D+01 -0.361560D+01  0.136548D+02 -0.563269D+01
      6  -0.877740D+00  0.694630D+00  0.805493D+01 -0.199151D+01  0.521870D+01
                36            37            38            39            40 
      1   0.536855D+01  0.134338D+02  0.159416D+02 -0.682783D+01  0.322188D+02
      2  -0.768614D+01 -0.105511D+02 -0.691142D+01  0.662758D+01 -0.168546D+02
      3   0.231760D+01 -0.288267D+01 -0.903022D+01  0.200252D+00 -0.153642D+02
      4  -0.528389D+01  0.187627D+02  0.224506D+01  0.407594D+01 -0.384902D+01
      5  -0.386131D+01 -0.114562D+02  0.382561D+01  0.932728D+01  0.358603D+01
      6   0.114492D+01  0.232982D+01 -0.868431D+00  0.952467D+00 -0.100727D+01
                41            42            43            44            45 
      1  -0.615606D+01  0.302431D+01 -0.186560D+02  0.342676D+01 -0.531130D+00
      2   0.564875D+01  0.263550D+00  0.101632D+02 -0.133807D+01 -0.563923D+01
      3   0.507315D+00 -0.328786D+01  0.849285D+01 -0.208869D+01  0.617036D+01
      4   0.149659D+02 -0.567198D+01  0.641309D+01 -0.703399D+01  0.263075D+01
      5  -0.495079D+01  0.607287D+01  0.870935D+01  0.337817D+01 -0.762081D+01
      6   0.143203D+01  0.321917D+01 -0.522888D+00  0.307688D+01  0.100357D+01
                46            47            48            49            50 
      1   0.127876D+02 -0.363899D+00  0.154039D+01  0.185296D+01 -0.183111D+02
      2  -0.126521D+02 -0.342917D+01  0.180161D+01 -0.570655D+01  0.285704D+02
      3  -0.135503D+00  0.379307D+01 -0.334199D+01  0.385359D+01 -0.102593D+02
      4  -0.889681D+01 -0.568394D+01  0.349981D+01  0.423890D+00 -0.524189D+01
      5   0.198113D+01  0.143792D+01  0.984354D+00  0.897273D+00  0.674223D+00
      6   0.499872D+01  0.284036D+01 -0.816523D+01  0.323314D+01  0.517313D+01
                51            52            53            54            55 
      1  -0.109379D+01 -0.169518D+00  0.265844D-01  0.619834D+00  0.104957D+02
      2   0.420521D+01  0.304232D+01  0.518953D+01  0.850083D+00 -0.127411D+01
      3  -0.311142D+01 -0.287281D+01 -0.521611D+01 -0.146992D+01 -0.922160D+01
      4   0.187428D+01  0.472048D+01  0.239840D+01 -0.859413D+01  0.173660D+02
      5  -0.217900D+01  0.113089D+01 -0.329091D+01 -0.403589D+01  0.925811D+00
      6   0.337941D+01 -0.971407D+01 -0.420565D+00 -0.129375D+02  0.568755D+00
                56            57            58            59            60 
      1   0.499935D+01 -0.380907D+00  0.824829D+01 -0.214241D+02 -0.117007D+00
      2   0.339369D+01  0.537523D+00  0.291366D+01  0.420566D+02 -0.347282D+00
      3  -0.839304D+01 -0.156616D+00 -0.111619D+02 -0.206325D+02  0.464289D+00
      4   0.222437D+02  0.609872D+00  0.251939D+02  0.465017D+02  0.694413D+00
      5   0.891020D+00  0.752629D+01  0.110305D+01  0.143116D+01  0.915361D+01
      6   0.688664D+00  0.403490D+01  0.995829D+00  0.828768D+00  0.174285D+02
                61            62            63            64            65 
      1  -0.268190D-01  0.352507D+00 -0.351722D+01  0.114294D+01 -0.194674D+00
      2   0.687126D+00 -0.882600D+00  0.279758D+01 -0.379696D+01  0.813526D-01
      3  -0.660307D+00  0.530092D+00  0.719632D+00  0.265403D+01  0.113321D+00
      4  -0.178504D+00 -0.815835D+00  0.109787D+02 -0.508957D+00  0.141395D+01
      5   0.882674D+01  0.110963D+02 -0.491031D+00 -0.163211D+01 -0.382008D+00
      6   0.381284D+01  0.139428D+02 -0.196961D+00 -0.534305D+00  0.433413D+00
                66            67            68            69            70 
      1   0.284304D-01 -0.209704D-01 -0.395371D+01 -0.251584D-02  0.900987D+00
      2   0.143930D+01  0.754763D+00  0.627299D+00 -0.816835D+00  0.248558D+01
      3  -0.146774D+01 -0.733793D+00  0.332641D+01  0.819351D+00 -0.338656D+01
      4  -0.541925D+00  0.268917D+01 -0.225637D+00 -0.470702D+00  0.882184D+00
      5   0.638485D+01  0.184977D+00 -0.782094D+00 -0.818492D+00  0.525202D+01
      6   0.272507D+00 -0.674896D-01  0.193202D+00  0.653725D+01  0.224401D+00
                71            72            73            74            75 
      1   0.146393D+01 -0.168290D+02 -0.760738D+00  0.376770D+00  0.495404D+01
      2  -0.512254D+00 -0.157309D+02 -0.252057D+01 -0.174327D+00 -0.897364D+00
      3  -0.951677D+00  0.325599D+02  0.328130D+01 -0.202442D+00 -0.405667D+01
      4  -0.503060D+00 -0.285858D+00  0.654780D+00  0.917384D+00 -0.135882D+01
      5   0.398822D+00 -0.717336D+01  0.156545D+01 -0.255061D+00  0.421100D+01
      6   0.436004D+01 -0.290144D+01 -0.122205D+01 -0.937223D+00  0.760285D+00
                76            77            78            79            80 
      1   0.134918D+01 -0.522616D+01  0.119660D+01  0.692846D+01  0.285339D+01
      2  -0.725541D+00  0.282872D+01 -0.110748D+01 -0.225870D+01 -0.421833D+00
      3  -0.623635D+00  0.239744D+01 -0.891247D-01 -0.466976D+01 -0.243156D+01
      4   0.184883D+00 -0.123459D+01  0.225101D+01 -0.282352D+01  0.249784D+01
      5  -0.741175D-01  0.199230D+01  0.457817D+00  0.429361D+01 -0.316233D+01
      6  -0.714686D-01 -0.123097D+01  0.572728D+01  0.218003D+00  0.680576D+01
                81            82            83            84            85 
      1  -0.221754D+02 -0.101153D+01 -0.355055D+01 -0.167304D+01 -0.480120D+01
      2  -0.108759D+02  0.317686D+01  0.278885D+01  0.115838D+01  0.316551D+01
      3   0.330513D+02 -0.216534D+01  0.761699D+00  0.514663D+00  0.163569D+01
      4  -0.147441D+01 -0.863566D+00  0.346465D+01  0.118653D+01  0.511928D+01
      5   0.183116D+02 -0.990449D+00  0.424107D+00  0.114431D+01 -0.610226D-01
      6  -0.129961D+02  0.143049D+01  0.166523D+00  0.343974D+00  0.293623D+00
                86            87            88            89            90 
      1  -0.185370D+02 -0.233386D+01 -0.305072D+01 -0.380598D+01 -0.589141D+01
      2   0.313056D+02  0.478954D+01  0.220833D+01  0.570466D+01  0.311913D+01
      3  -0.127686D+02 -0.245568D+01  0.842394D+00 -0.189868D+01  0.277228D+01
      4  -0.172510D+02 -0.207882D+01  0.148309D+01 -0.435233D+01 -0.257174D+01
      5  -0.256102D+01 -0.237181D+01  0.458085D+00 -0.318595D+01 -0.498591D+00
      6   0.359476D+01  0.550797D+01  0.292704D+00  0.644731D+01  0.238970D+01
                91            92            93            94            95 
      1  -0.118007D+02 -0.218491D+01  0.174018D+00 -0.126759D+02 -0.667258D+01
      2   0.100431D+02 -0.586920D+00  0.435903D-01  0.693956D+01  0.106910D+02
      3   0.175766D+01  0.277183D+01 -0.217608D+00  0.573632D+01 -0.401840D+01
      4  -0.783440D+00 -0.156926D+00 -0.486619D+00  0.714447D+01 -0.162943D+02
      5   0.929399D+00  0.493459D+00 -0.175780D+01  0.113824D+01  0.365314D+00
      6  -0.384394D+00 -0.332121D-01 -0.200398D+01 -0.351572D-01  0.347718D+00
                96            97            98            99           100 
      1   0.310063D+00  0.114942D+01  0.259910D+00 -0.114191D+01 -0.799156D+00
      2  -0.265794D+00 -0.792477D+00 -0.384908D+00  0.303855D+00  0.803756D+00
      3  -0.442688D-01 -0.356943D+00  0.124999D+00  0.838059D+00 -0.460026D-02
      4  -0.308970D+00 -0.398510D+00  0.125505D+00 -0.240404D+01  0.199657D+01
      5  -0.384508D+01  0.219927D+01 -0.228971D+01  0.924487D-01  0.224126D+01
      6   0.170831D+01 -0.138796D+01  0.273358D+01 -0.119486D+00  0.220317D+01
               101           102           103           104           105 
      1  -0.787947D+00 -0.808237D+00 -0.436496D-01 -0.320623D+01 -0.153025D+01
      2   0.135910D+01  0.305559D+00  0.412990D+00  0.372570D+01  0.213611D+01
      3  -0.571157D+00  0.502678D+00 -0.369341D+00 -0.519466D+00 -0.605862D+00
      4   0.404815D+01  0.247935D+01  0.370227D+01  0.218222D+01  0.230979D+01
      5   0.136236D+01  0.389247D+01  0.695890D+00  0.152020D+01  0.136879D+01
      6   0.286386D+01  0.481120D+01  0.232350D+01  0.292319D+01  0.607025D+01
               106           107           108           109           110 
      1  -0.866965D-01 -0.550745D+01 -0.901625D+01  0.984580D+00 -0.328420D+01
      2  -0.123172D+01  0.428284D+01 -0.358773D+01  0.567043D+01  0.101258D+02
      3   0.131842D+01  0.122461D+01  0.126040D+02 -0.665501D+01 -0.684156D+01
      4   0.493785D+01  0.439397D+01  0.583643D+01  0.134543D+02  0.142343D+02
      5   0.422365D+01  0.296276D+01  0.773394D+01 -0.364146D+01 -0.282529D+01
      6   0.615015D+01  0.905284D+01  0.219755D+02 -0.602347D+01 -0.565471D+01
               111           112           113           114           115 
      1   0.613496D-01 -0.179759D+01 -0.517858D+01  0.122346D+01  0.103084D+01
      2  -0.264748D+01  0.713871D+01  0.125273D+02 -0.369057D+01 -0.292740D+01
      3   0.258613D+01 -0.534112D+01 -0.734869D+01  0.246711D+01  0.189656D+01
      4  -0.527812D+01  0.125863D+02  0.111326D+02 -0.409756D+01 -0.762763D+01
      5   0.406398D+01 -0.128212D+01 -0.257131D+01  0.168951D+01  0.401225D+01
      6   0.628247D+01 -0.452984D+01 -0.553328D+01  0.522213D+01  0.629547D+01
               116           117           118           119           120 
      1   0.307538D+01 -0.242407D+01  0.461452D+02 -0.145547D+02  0.597414D+01
      2  -0.539352D+01  0.207292D+01 -0.220215D+02  0.609735D+01 -0.274528D+01
      3   0.231813D+01  0.351153D+00 -0.241237D+02  0.845732D+01 -0.322886D+01
      4  -0.644333D+01  0.584338D+01 -0.215003D+02  0.134228D+02 -0.320490D+01
      5   0.314218D+01 -0.330935D+01  0.774037D+01 -0.296938D+01  0.731801D+01
      6   0.750557D+01 -0.622534D+01 -0.909147D+00  0.494547D+00 -0.982879D+00
               121           122           123           124           125 
      1  -0.219916D+02  0.115261D+02 -0.279533D+01  0.111942D+02 -0.359757D+01
      2   0.851665D+01 -0.281394D+01  0.942465D+00 -0.608447D+01  0.152423D+01
      3   0.134750D+02 -0.871214D+01  0.185287D+01 -0.510973D+01  0.207334D+01
      4   0.194734D+02 -0.134642D+02  0.366679D+01 -0.624543D+01  0.443300D+01
      5  -0.444767D+01  0.355857D+01 -0.418998D+01  0.917380D+01 -0.354951D+01
      6   0.106274D+01 -0.950551D+00  0.201764D+01 -0.197947D+01  0.203219D+01
               126 
      1   0.555910D+01
      2  -0.372840D+01
      3  -0.183070D+01
      4  -0.379373D+01
      5   0.352322D+01
      6  -0.941528D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.159952D+01      0.406557D+01      0.135613D+02
   y          0.794022D+00      0.201820D+01      0.673200D+01
   z          0.248180D+00      0.630811D+00      0.210416D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.609591D+02      0.903320D+01      0.100508D+02
   yx        -0.350373D+00     -0.519199D-01     -0.577687D-01
   yy         0.594451D+02      0.880885D+01      0.980117D+01
   zx        -0.567215D+00     -0.840526D-01     -0.935212D-01
   zy        -0.340346D+00     -0.504341D-01     -0.561155D-01
   zz         0.434226D+02      0.643457D+01      0.715942D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598106D+02      0.886302D+01      0.986144D+01
   aniso      0.178167D+02      0.264016D+01      0.293758D+01
   xx         0.665495D+02      0.986162D+01      0.109725D+02
   yx        -0.211410D+00     -0.313277D-01     -0.348568D-01
   yy         0.648799D+02      0.961421D+01      0.106973D+02
   zx        -0.654174D+00     -0.969386D-01     -0.107859D+00
   zy        -0.260190D+00     -0.385561D-01     -0.428995D-01
   zz         0.480025D+02      0.711323D+01      0.791454D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.71217691         -2.12392657          1.59489089
     6          0.54329117          0.48283566          0.40181008
     6         -0.38051695          0.30545715         -2.34581313
     8         -1.82153766          2.25705460         -3.05138698
     8          1.77925707         -1.79957707          4.04463021
     7         -0.99923302          2.30938596          1.80071326
     8          0.17860437         -1.39298134         -3.74362181
     1          2.45941180          1.25282505          0.29631811
     1         -1.18663715         -2.95402986          1.71554146
     1          1.87086727         -3.34339537          0.40147124
     1         -2.01132222          3.30594049         -1.52687232
     1         -2.53240983          1.44828648          2.56753169
     1         -0.00622390          3.05805386          3.25251610
     1          2.06064444         -3.43555585          4.78619915

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180292D+01      0.458257D+01      0.152858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.471546D+02      0.698759D+01      0.777474D+01
   yx        -0.644831D+01     -0.955541D+00     -0.106318D+01
   yy         0.567927D+02      0.841580D+01      0.936384D+01
   zx         0.300131D+01      0.444748D+00      0.494849D+00
   zy         0.580769D+00      0.860611D-01      0.957559D-01
   zz         0.598795D+02      0.887323D+01      0.987280D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598106D+02      0.886302D+01      0.986144D+01
   aniso      0.178167D+02      0.264016D+01      0.293758D+01
   xx         0.519982D+02      0.770535D+01      0.857335D+01
   yx        -0.680850D+01     -0.100891D+01     -0.112257D+01
   yy         0.619160D+02      0.917500D+01      0.102086D+02
   zx         0.315442D+01      0.467437D+00      0.520094D+00
   zy         0.698140D+00      0.103454D+00      0.115108D+00
   zz         0.655177D+02      0.970872D+01      0.108024D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.250904,-0
 .69005,0.276818\C,0.189479,0.206848,-0.33832\C,-1.218867,-0.343463,-0.
 063422\O,-2.139786,0.610664,0.106878\O,2.516052,-0.170687,-0.121294\N,
 0.262737,1.61499,0.062074\O,-1.475252,-1.516387,-0.031909\H,0.312462,0
 .172012,-1.425027\H,1.148785,-0.681214,1.370514\H,1.101193,-1.714061,-
 0.06989\H,-1.645638,1.460867,0.062581\H,0.529234,1.69436,1.038405\H,0.
 970182,2.101499,-0.472846\H,3.207414,-0.767126,0.181892\\Version=ES64L
 -G16RevA.03\State=1-A\HF=-399.1528798\RMSD=9.474e-09\RMSF=8.278e-06\Ze
 roPoint=0.1131931\Thermal=0.1208953\Dipole=1.5995176,0.7940225,0.24818
 01\DipoleDeriv=0.789872,0.1283577,-0.1468827,0.0819323,0.1551594,-0.00
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 IF YOU'RE NOT PART OF THE SOLUTION,
 THEN YOU'RE PART OF THE PRECIPITATE.
 Job cpu time:       0 days  1 hours 20 minutes 16.8 seconds.
 Elapsed time:       0 days  0 hours 10 minutes  4.6 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:13:41 2021.
